SCHEMBL7186146

SCHEMBL7186146

CCC(CC)c1ccc(N=C=O)cc1N=C=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
TRPA1 O75762 1/20 0.54
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.39
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL29376285 0.81 CYP3A4 (0.59) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL133880 0.81 CYP3A4 (0.59) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL31173713 0.78 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11869838 0.77 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL28611992 0.77 CYP3A4 (0.47) CYP3A4TRPA1TDP1TSHRGABRA1
SCHEMBL30262874 0.77 CYP3A4 (0.54) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL28927829 0.77 CYP3A4 (0.54) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL28621774 0.76 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL15751102 0.75 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL314237 0.75 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799843-B1 Polyurethane resins containing carbodiimide bonds NISSHIN SPINNING (JP) 2003-06-04 EP claimed
US-6153718-A WHEREIN THE DIISOCYANATE COMPONENT COMPRISES: AT LEAST ONE KIND OF UNMODIFIED DIISOCYANATE, AND AT LEAST ONE KIND OF CARBODIIMIDE-MODIFIED DIISOCYANATE NISSHINBO INDUSTRIES, INC. (JP) 2000-11-28 US claimed
EP-0799843-A1 Polyurethane resins containing carbodiimide bonds NISSHINBO INDUSTRIES, INC. (JP) 1997-10-08 EP claimed
EP-0460481-B1 Process for the stabilisation of resins containing ester groups BAYER AG (DE) 1997-04-02 EP claimed
US-20240294693-A1 AROMATIC CARBODIIMIDES, PROCESS FOR THE PREPARATION AND USE THEREOF LANXESS DEUTSCHLAND GMBH (DE) 2024-09-05 US disclosed
CN-103619900-A Curable epoxy resin systems containing mixtures of amine hardeners and an excess of epoxide groups DOW GLOBAL TECHNOLOGIES INC 2014-03-05 CN disclosed
EP-0799843-B1 Polyurethane resins containing carbodiimide bonds NISSHIN SPINNING (JP) 2003-06-04 EP disclosed
US-6153718-A WHEREIN THE DIISOCYANATE COMPONENT COMPRISES: AT LEAST ONE KIND OF UNMODIFIED DIISOCYANATE, AND AT LEAST ONE KIND OF CARBODIIMIDE-MODIFIED DIISOCYANATE NISSHINBO INDUSTRIES, INC. (JP) 2000-11-28 US disclosed
EP-0799843-A1 Polyurethane resins containing carbodiimide bonds NISSHINBO INDUSTRIES, INC. (JP) 1997-10-08 EP disclosed
CN-1028515-C Method for separating 2, 6-or 3, 5-diethyltoluene from mixture of diethyltoluene isomers UOP INC (US) 1995-05-24 CN disclosed
CN-1058012-A Chromatographic separation process for recovering 2, 6-diethyltoluene or 3, 5-diethyltoluene from a mixture containing other Diethyltoluene (DET) isomers UOP INC (US) 1992-01-22 CN disclosed
CN-85101894-A The preparation method of polyurethane compositions having low hysteresis 1987-01-17 CN disclosed