SCHEMBL2049404

SCHEMBL2049404

CC1(C)CC(N=C=O)CC(C)(C)C1N=C=O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL18154644 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL12019112 0.74 ALDH1A1 (0.65) ALDH1A1CYP3A4
SCHEMBL10941870 0.74 ALDH1A1 (0.36) ALDH1A1CYP3A4
SCHEMBL2254659 0.73 ALDH1A1 (0.49) ALDH1A1CYP3A4
SCHEMBL6036723 0.72 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL10873144 0.72 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL7914010 0.72 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL28491258 0.72 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL441905 0.71 ALDH1A1 (0.43) ALDH1A1CYP3A4
SCHEMBL14165344 0.71 ALDH1A1 (0.43) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091911-B1 PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES EVONIK DEGUSSA GMBH (DE) 2015-04-29 EP claimed
US-20120313031-A1 COMPOUNDS MADE OF (CYCLO)ALIPHATIC DIISOCYANATES AND AROMATIC ACID HALIDES EVONIK DEGUSSA GMBH (DE) 2012-12-13 US claimed
WO-2011072903-A1 COMPOUNDS MADE OF (CYCLO)ALIPHATIC DIISOCYANATES AND AROMATIC ACID HALIDES EVONIK DEGUSSA GMBH (DE) 2011-06-23 WO claimed
US-20100036154-A1 PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES EVONIK DEGUSSA GMBH (DE) 2010-02-11 US claimed
EP-2091911-A1 PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES Evonik Degussa GmbH (DE) 2009-08-26 EP claimed
WO-2008077672-A1 PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES EVONIK DEGUSSA GMBH (DE) 2008-07-03 WO claimed
EP-2091911-B1 PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES EVONIK DEGUSSA GMBH (DE) 2015-04-29 EP disclosed
US-8816125-B2 Process for the continuous preparation of (cyclo)aliphatic diisocyanates EVONIK DEGUSSA GMBH (DE) 2014-08-26 US disclosed
US-20120313031-A1 COMPOUNDS MADE OF (CYCLO)ALIPHATIC DIISOCYANATES AND AROMATIC ACID HALIDES EVONIK DEGUSSA GMBH (DE) 2012-12-13 US disclosed
WO-2011072903-A1 COMPOUNDS MADE OF (CYCLO)ALIPHATIC DIISOCYANATES AND AROMATIC ACID HALIDES EVONIK DEGUSSA GMBH (DE) 2011-06-23 WO disclosed
US-20100036154-A1 PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES EVONIK DEGUSSA GMBH (DE) 2010-02-11 US disclosed
EP-2091911-A1 PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES Evonik Degussa GmbH (DE) 2009-08-26 EP disclosed
WO-2008077672-A1 PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES EVONIK DEGUSSA GMBH (DE) 2008-07-03 WO disclosed