SCHEMBL7705986

SCHEMBL7705986

Cc1c(C)c(C)c([C]=O)c([C]=O)c1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1311998 0.92 CYP3A4 (0.32) CYP3A4
SCHEMBL9452089 0.89 CYP3A4 (0.31) CYP3A4
SCHEMBL5700235 0.85
SCHEMBL1313255 0.70 CYP3A4 (0.30) CYP3A4
SCHEMBL1311844 0.67 CYP3A4 (0.32) CYP3A4
Hexamethylbenzene SCHEMBL38513 0.67
Hexamethylbenzene SCHEMBL27808586 0.67
Hexamethylbenzene SCHEMBL6945522 0.67
Hexamethylbenzene SCHEMBL28055272 0.67
SCHEMBL27649331 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355615-B1 CYCLIC POLYAMIDEESTER COPOLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US claimed
EP-0986549-A1 DESOXYCYCLODEPSIPEPTIDES AND THEIR USE FOR COMBATTING ENDOPARASITES Bayer Aktiengesellschaft (DE) 2000-03-22 EP claimed
WO-1998055469-A1 DESOXYCYCLODEPSIPEPTIDES AND THEIR USE FOR COMBATTING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 1998-12-10 WO claimed
US-6355615-B1 CYCLIC POLYAMIDEESTER COPOLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
EP-0986545-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-22 EP disclosed
EP-0986549-A1 DESOXYCYCLODEPSIPEPTIDES AND THEIR USE FOR COMBATTING ENDOPARASITES Bayer Aktiengesellschaft (DE) 2000-03-22 EP disclosed
WO-1998055469-A1 DESOXYCYCLODEPSIPEPTIDES AND THEIR USE FOR COMBATTING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 1998-12-10 WO disclosed
WO-1998054159-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-03 WO disclosed