Cyclohexane

Cyclohexane

SCHEMBL4981074

C1CCCCC1.O=C=NC(N=C=O)C1CCCCC1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 2/20 0.34
SHBG P04278 1/20 0.32
TP53 P04637 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
SCHEMBL105924 1.00 ALDH1A1 (0.42) ALDH1A1EPHX1SHBGTP53
SCHEMBL131131 0.97 ALDH1A1 (0.39) ALDH1A1EPHX1
SCHEMBL9580452 0.93 ALDH1A1 (0.38) ALDH1A1EPHX1
Cyclohexane SCHEMBL2058380 0.93 ALDH1A1 (0.38) ALDH1A1EPHX1
SCHEMBL9864501 0.92 ALDH1A1 (0.33) ALDH1A1
Propane SCHEMBL28140438 0.91 SHBG (0.41) ALDH1A1EPHX1SHBGTP53
SCHEMBL151603 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL25378090 0.87 ALDH1A1 (0.37) ALDH1A1
Hexane SCHEMBL23420632 0.86 SHBG (0.38) ALDH1A1EPHX1SHBG
SCHEMBL632696 0.83 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758088-B1 SURGICAL BARRIER POSSESSING CLINICALLY IMPORTANT ABSORPTION CHARACTERISTICS BVW HOLDING AG (CH) 2024-01-10 EP claimed
EP-2814789-B1 HYDROPHOBING AGENT FOR COATINGS WACKER CHEMIE AG (DE) 2016-04-27 EP disclosed
EP-2814789-A1 HYDROPHOBING AGENT FOR COATINGS Wacker Chemie AG (DE) 2014-12-24 EP disclosed
WO-2013120737-A1 HYDROPHOBING AGENT FOR COATINGS WACKER CHEMIE AG (DE) 2013-08-22 WO disclosed
US-20080103263-A1 Emulsifiable Polyisocyanate ERDEM BEDRI 2008-05-01 US disclosed
EP-0913417-B1 Polyester alcohols, process for their manufacture and their use BASF AG (DE) 2004-12-01 EP disclosed
EP-0913417-A1 Polyester alcohols, process for their manufacture and their use BASF AKTIENGESELLSCHAFT (DE) 1999-05-06 EP disclosed