Benzene

Benzene

SCHEMBL8735478

C=CC=C.COC.c1ccccc1

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
CA4 P22748 1/20 0.30

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
Butadiene SCHEMBL5053390 0.82
Butadiene SCHEMBL20548671 0.82
Benzene SCHEMBL24022 0.82 TSHR (0.38) ALDH1A1TSHR
Benzene SCHEMBL9787317 0.82 TSHR (0.38) ALDH1A1TSHR
Benzene SCHEMBL8602401 0.77
Benzene SCHEMBL25404994 0.77 TSHR (0.35) ALDH1A1TSHR
Benzene SCHEMBL28868135 0.77 TSHR (0.35) ALDH1A1TSHR
Benzene SCHEMBL11227061 0.77 TSHR (0.35) ALDH1A1TSHR
Benzene SCHEMBL3876530 0.77 TSHR (0.35) ALDH1A1TSHR
Benzene SCHEMBL527921 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462183-B1 FREE-RADICAL CURABLE COMPOSITIONS DSM NV (NL) 1998-06-10 EP disclosed
US-5416126-A Maleate oligopolyester DSM N.V. (NL) 1995-05-16 US disclosed
EP-0608575-A1 A composition which is cured by exposure to ultraviolet light in the absence of solvent DSM N.V. (NL) 1994-08-03 EP disclosed
US-5207871-A Photopolymerization DSM N.V. (NL) 1993-05-04 US disclosed
EP-0462183-A4 FREE-RADICAL CURABLE COMPOSITIONS 1992-02-26 EP disclosed
EP-0462183-A1 FREE-RADICAL CURABLE COMPOSITIONS DSM N.V. (NL) 1991-12-27 EP disclosed
US-4996282-A Using transvinylation polyhydric alcohol DESOTO, INC. (US) 1991-02-26 US disclosed
WO-1990010662-A1 FREE-RADICAL CURABLE COMPOSITIONS DESOTO, INC. (US) 1990-09-20 WO disclosed
WO-1990003989-A1 CATIONICALLY CURABLE POLYURETHANE COMPOSITIONS HAVING VINYL ETHER FUNCTIONALITY DESOTO, INC. (US) 1990-04-19 WO disclosed