Cyclohexane

Cyclohexane

SCHEMBL7563233

C1CCCCC1.N#CC(C#N)C(N)=O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
MCL1 Q07820 1/20 0.32
TSHR P16473 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
SCHEMBL5381405 0.91
Ethylene SCHEMBL7563790 0.86 MCL1 (0.33) MCL1
Piperazine SCHEMBL8415291 0.82
Ethylenediamine SCHEMBL7570859 0.81 MCL1 (0.36) MCL1
SCHEMBL27746025 0.78
Cyclohexane SCHEMBL11421105 0.74
SCHEMBL906464 0.69
SCHEMBL20456241 0.67
SCHEMBL2906834 0.65
SCHEMBL308573 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934256-B1 PROCESS FOR THE PRODUCTION OF CYANOCINNAMAMIDES HONEYWELL INT INC (US) 2002-08-21 EP disclosed
EP-0934256-A1 PROCESS FOR THE PRODUCTION OF CYANOCINNAMAMIDES AlliedSignal Inc. (US) 1999-08-11 EP disclosed
WO-1998016501-A1 PROCESS FOR THE PRODUCTION OF CYANOCINNAMAMIDES ALLIEDSIGNAL INC. (US) 1998-04-23 WO disclosed
US-5654465-A Process for the production of cyanocinnamamides ALLIEDSIGNAL INC. (US) 1997-08-05 US disclosed