Benzene

Benzene

SCHEMBL9561229

C.CC.CC.N=C=O.N=C=O.c1ccccc1.c1ccccc1

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
CASP1 P29466 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
Benzene SCHEMBL6064566 1.00 TSHR (0.31) TSHRCASP1
Benzene SCHEMBL28339975 1.00 TSHR (0.31) TSHRCASP1
Benzene SCHEMBL408741 0.96 TSHR (0.33) TSHRCASP1
Benzene SCHEMBL9390629 0.96 TSHR (0.33) TSHRCASP1
Benzene SCHEMBL27624654 0.96 TSHR (0.33) TSHRCASP1
Benzene SCHEMBL9622706 0.96 TSHR (0.33) TSHRCASP1
Benzene SCHEMBL29206608 0.96 TSHR (0.33) TSHRCASP1
Benzene SCHEMBL9863896 0.96 TSHR (0.33) TSHRCASP1
Benzene SCHEMBL25280208 0.91 TP53 (0.30) TSHR
Benzene SCHEMBL190412 0.91 TP53 (0.30) TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198522-A Polyureas MILES INC. (US) 1993-03-30 US claimed
US-5198522-A Polyureas MILES INC. (US) 1993-03-30 US disclosed
US-5198522-A Polyureas MILES INC. (US) 1993-03-30 US disclosed