Benzene

Benzene

SCHEMBL17022337

C=C(C)C(O)=S.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4625286 0.92 TDP1 (0.35) TDP1ALDH1A1
SCHEMBL5347394 0.92 TDP1 (0.35) TDP1ALDH1A1
SCHEMBL176354 0.92
Hydrochloric Acid SCHEMBL11753357 0.88
Benzene SCHEMBL134227 0.79 TDP1 (0.38) TDP1KDM4EALDH1A1
Benzene SCHEMBL6003979 0.75 TDP1 (0.35) TDP1KDM4EALDH1A1
Benzene SCHEMBL4426066 0.75 TDP1 (0.35) TDP1KDM4EALDH1A1
Benzene SCHEMBL17504475 0.74 TP53 (0.36) TDP1KDM4EALDH1A1
Benzene SCHEMBL27276477 0.74 TAS2R38 (0.40) TAS2R38KDM4EALDH1A1
Benzene SCHEMBL1685406 0.74 TP53 (0.36) TDP1KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2910592-B1 POLYMERIZABLE COMPOSITION, AND CURED ARTICLE MITSUBISHI GAS CHEMICAL CO (JP) 2018-09-05 EP disclosed
US-9376603-B2 Polymerizable composition, and cured article MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-06-28 US disclosed
US-20150252234-A1 POLYMERIZABLE COMPOSITION, AND CURED ARTICLE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-09-10 US disclosed
EP-2910592-A1 POLYMERIZABLE COMPOSITION, AND CURED ARTICLE Mitsubishi Gas Chemical Company, Inc. (JP) 2015-08-26 EP disclosed