Benzene

Benzene

SCHEMBL9622706

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

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33

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 SCHEMBL29206608 1.00 TSHR (0.33) TSHRCASP1
Benzene SCHEMBL9390629 1.00 TSHR (0.33) TSHRCASP1
Benzene SCHEMBL408741 1.00 TSHR (0.33) TSHRCASP1
Benzene SCHEMBL9863896 1.00 TSHR (0.33) TSHRCASP1
Benzene SCHEMBL6064566 0.96 TSHR (0.31) TSHRCASP1
Benzene SCHEMBL9561229 0.96 TSHR (0.31) TSHRCASP1
Benzene SCHEMBL11680885 0.92
Benzene SCHEMBL11696454 0.91 TP53 (0.33) TSHR
Benzene SCHEMBL717383 0.91 TP53 (0.33) TSHR
Benzene SCHEMBL6711097 0.91 TP53 (0.33) 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
EP-0271914-B1 POLYESTERAMIDE WITH IMPROVED COMPRESSION SET THE DOW CHEMICAL COMPANY (US) 1992-01-08 EP disclosed
US-4772649-A Polyesteramide and sufficient carbodiimide to impart improved compression set THE DOW CHEMICAL COMPANY (US) 1988-09-20 US disclosed
EP-0271914-A2 Polyesteramide with improved compression set THE DOW CHEMICAL COMPANY (US) 1988-06-22 EP disclosed