SCHEMBL7746199

SCHEMBL7746199

Cc1cc(N=C=O)c(C)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2341640 0.83 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL1712846 0.83 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL7592953 0.83 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL1044718 0.80 CYP3A4 (0.61) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL2170890 0.80 CYP3A4 (0.56) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL16707388 0.80 CYP3A4 (0.48) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL4298726 0.78 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL3677882 0.78 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL163362 0.78 CYP3A4 (0.60) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL16707424 0.77 ALDH1A1 (0.36) CYP3A4ALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564643-B1 PRODUCTS OBTAINED FROM THE REACTION OF AMINE-DIOL AND A POLYFUNCTIONAL SUBSTANCE, AND APPLICATION OF SUCH PRODUCTS TO ELECTROAPPLICABLE CATIONIC PAINT COMPOSITIONS PPG IND FRANCE (FR) 1996-05-01 EP claimed
US-5348578-A Amine-diol is obtained by reaction of primary amine with at least one alkylene oxide comprising mainly propylene oxide PPG INDUSTRIES (FRANCE) S.A. (FR) 1994-09-20 US claimed
CN-107207896-A For makrolon and the water based primer compositions of polycarbonate Alloys SIKA技术股份公司 2017-09-26 CN disclosed
US-9647218-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-09 US disclosed
US-20150129849-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-05-14 US disclosed
US-6784183-B2 ANTISEROTONINE AGENTS LES LABORATOIRES SERVIER (FR) 2004-08-31 US disclosed
EP-0564643-B1 PRODUCTS OBTAINED FROM THE REACTION OF AMINE-DIOL AND A POLYFUNCTIONAL SUBSTANCE, AND APPLICATION OF SUCH PRODUCTS TO ELECTROAPPLICABLE CATIONIC PAINT COMPOSITIONS PPG IND FRANCE (FR) 1996-05-01 EP disclosed
US-5348578-A Amine-diol is obtained by reaction of primary amine with at least one alkylene oxide comprising mainly propylene oxide PPG INDUSTRIES (FRANCE) S.A. (FR) 1994-09-20 US disclosed
WO-1993008157-A1 PRODUCTS OBTAINED FROM THE REACTION OF AMINE-DIOL AND A POLYFUNCTIONAL SUBSTANCE, AND APPLICATION OF SUCH PRODUCTS TO ELECTROAPPLICABLE CATIONIC PAINT COMPOSITIONS PPG INDUSTRIES (FRANCE) S.A. (FR) 1993-04-29 WO disclosed