As of 2022-03-07, the Wikidata property isomeric SMILES (P2017) is used on 359,272 items as main value on statements (not counting qualifiers) of the Q and P namespaces.

Closest properties: by cardinality of intersection, by Jaccard index.

Display properties of the following types:                                    

Closest properties by cardinality of intersection

IDLabelIntersection cardinalityJaccard index
P31 instance of 359,245
 0.0038
P235 InChIKey 358,431
 0.2742
P274 chemical formula 354,638
 0.3380
P234 InChI 352,596
 0.2700
P233 canonical SMILES 267,209
 0.2749
P662 PubChem CID 223,365
 0.2035
P703 found in taxon 168,852
 0.0608
P2067 mass 84,726
 0.1390
P231 CAS Registry Number 83,671
 0.0688
P3117 DSSTox substance ID 64,087
 0.0560
P8494 DSSTOX compound identifier 63,980
 0.0559
P683 ChEBI ID 60,567
 0.1490
P661 ChemSpider ID 58,831
 0.1384
P652 UNII 24,642
 0.0612
P2101 melting point 22,510
 0.0612
P592 ChEMBL ID 19,103
 0.0489
P279 subclass of 18,499
 0.0062
P2063 LIPID MAPS ID 18,302
 0.0502
P8691 SwissLipids identifier 17,184
 0.0478
P3636 PDB ligand ID 12,898
 0.0350
P1579 Reaxys registry number 11,081
 0.0302
P638 PDB structure ID 10,544
 0.0281
P232 EC number 9,400
 0.0232
P2566 ECHA InfoCard ID 9,295
 0.0229
P665 KEGG ID 8,667
 0.0234
P2840 NSC number 8,280
 0.0179
P715 DrugBank ID 6,036
 0.0165
P117 chemical structure 5,599
 0.0151
P646 Freebase ID 5,121
 0.0011
P6366 Microsoft Academic ID 4,337
 0.0069
P2057 Human Metabolome Database ID 4,018
 0.0111
P595 Guide to Pharmacology Ligand ID 3,561
 0.0098
P6689 MassBank accession ID 3,357
 0.0092
P2064 KNApSAcK ID 3,191
 0.0089
P361 part of 3,052
 0.0009
P4964 SPLASH 2,869
 0.0079
P3345 RxNorm ID 2,802
 0.0077
P486 MeSH descriptor ID 2,709
 0.0069
P2868 subject has role 2,435
 0.0035
P7049 AICS Chemical ID (former scheme) 2,364
 0.0063
P4168 IEDB Epitope ID 1,867
 0.0052
P2671 Google Knowledge Graph ID 1,730
 0.0002
P2115 NDF-RT ID 1,336
 0.0037
P10283 OpenAlex ID 1,288
 0.0028
P373 Commons category 1,192
 0.0003
P267 ATC code 1,177
 0.0033
P3073 CosIng number 1,158
 0.0032
P2892 UMLS CUI 1,069
 0.0028
P972 catalog 1,045
 0.0024
P2062 HSDB ID 1,032
 0.0028

Closest properties by Jaccard index

IDLabelIntersection cardinalityJaccard index
P274 chemical formula 354,638
 0.3380
P233 canonical SMILES 267,209
 0.2749
P235 InChIKey 358,431
 0.2742
P234 InChI 352,596
 0.2700
P662 PubChem CID 223,365
 0.2035
P683 ChEBI ID 60,567
 0.1490
P2067 mass 84,726
 0.1390
P661 ChemSpider ID 58,831
 0.1384
P231 CAS Registry Number 83,671
 0.0688
P2101 melting point 22,510
 0.0612
P652 UNII 24,642
 0.0612
P703 found in taxon 168,852
 0.0608
P3117 DSSTox substance ID 64,087
 0.0560
P8494 DSSTOX compound identifier 63,980
 0.0559
P2063 LIPID MAPS ID 18,302
 0.0502
P592 ChEMBL ID 19,103
 0.0489
P8691 SwissLipids identifier 17,184
 0.0478
P3636 PDB ligand ID 12,898
 0.0350
P1579 Reaxys registry number 11,081
 0.0302
P638 PDB structure ID 10,544
 0.0281
P665 KEGG ID 8,667
 0.0234
P232 EC number 9,400
 0.0232
P2566 ECHA InfoCard ID 9,295
 0.0229
P2840 NSC number 8,280
 0.0179
P715 DrugBank ID 6,036
 0.0165
P117 chemical structure 5,599
 0.0151
P2057 Human Metabolome Database ID 4,018
 0.0111
P595 Guide to Pharmacology Ligand ID 3,561
 0.0098
P6689 MassBank accession ID 3,357
 0.0092
P2064 KNApSAcK ID 3,191
 0.0089
P4964 SPLASH 2,869
 0.0079
P3345 RxNorm ID 2,802
 0.0077
P6366 Microsoft Academic ID 4,337
 0.0069
P486 MeSH descriptor ID 2,709
 0.0069
P7049 AICS Chemical ID (former scheme) 2,364
 0.0063
P279 subclass of 18,499
 0.0062
P4168 IEDB Epitope ID 1,867
 0.0052
P31 instance of 359,245
 0.0038
P2115 NDF-RT ID 1,336
 0.0037
P2868 subject has role 2,435
 0.0035
P267 ATC code 1,177
 0.0033
P3073 CosIng number 1,158
 0.0032
P2062 HSDB ID 1,032
 0.0028
P10283 OpenAlex ID 1,288
 0.0028
P3364 stereoisomer of 1,004
 0.0028
P2892 UMLS CUI 1,069
 0.0028
P2275 World Health Organisation international non-proprietary name 954
 0.0026
P972 catalog 1,045
 0.0024
P2175 medical condition treated 730
 0.0020
P129 physically interacts with 662
 0.0018