SCHEMBL1045246

SCHEMBL1045246

Cc1cc(C)c(N=C=O)cc1N=C=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.59
TRPA1 O75762 1/20 0.59
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 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
SCHEMBL375132 0.92 CYP3A4 (0.57) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL1191608 0.92 CYP3A4 (0.57) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL1044718 0.92 CYP3A4 (0.61) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL9446491 0.89 CYP3A4 (0.71) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL9693933 0.88 CYP3A4 (0.53) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL23213379 0.84 CYP3A4 (0.50) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL78958 0.84 CYP3A4 (0.50) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL2148152 0.84 CYP3A4 (0.50) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL29795916 0.84 CYP3A4 (0.50) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL30301143 0.84 CYP3A4 (0.50) CYP3A4TRPA1TDP1ALDH1A1HPGD

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 771 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279972-A Two-component polyurethane compositions, methods of making, and methods of using the same 阿科玛法国 2023-12-22 CN claimed
WO-2022126013-A1 COATED PARTICLES FOR TURF INFILL PREFERRED TECHNOLOGY, LLC (US) 2022-06-16 WO claimed
WO-2022125953-A1 COATED PARTICLES FOR TURF INFILL COGNITION THERAPEUTICS, INC. (US) 2022-06-16 WO claimed
US-20220186037-A1 COATED PARTICLES FOR TURF INFILL PREFERRED TECHNOLOGY, LLC 2022-06-16 US claimed
US-20210369911-A1 HYDROGEL COMPOSITIONS UNIVERSITÉ DE HAUTE-ALSACE (FR) 2021-12-02 US claimed
US-9382469-B2 Process for the production of coated proppants ASHLAND-SUDCHEMIE-KERNFEST GMBH (DE) 2016-07-05 US claimed
US-20140345864-A1 METHOD FOR PRODUCING COATED PROPPANTS ASHLAND-SUDCHEMIE-KERNFEST GMBH (DE) 2014-11-27 US claimed
CN-104039920-A Method for producing coated proppants ASHLAND SUEDCHEMIE KERNFEST 2014-09-10 CN claimed
CN-103889706-A Coated and cured proppants PREFERRED UNLTD INC 2014-06-25 CN claimed
US-20140060833-A1 PROCESS FOR THE PRODUCTION OF COATED PROPPANTS Ashland-Sudchemie-Kemfest GmbH (DE) 2014-03-06 US claimed
US-20120279703-A1 COATED AND CURED PROPPANTS ALTER DOMUS (US) LLC, AS ADMINISTRATIVE AGENT 2012-11-08 US claimed
WO-2012066125-A1 PROCESS FOR THE PRODUCTION OF COATED PROPPANTS Ashland-Südchemie-Kernfest GmbH (DE) 2012-05-24 WO claimed
US-20090053490-A1 Highly Filled Composite Materials CLAUSI ROBERT N 2009-02-26 US claimed
US-20080223519-A1 POLYAMIDE POLYOLS AND POLYURETHANES, METHODS FOR MAKING AND USING, AND PRODUCTS MADE THEREFROM BANK OF AMERICA, N.A. 2008-09-18 US claimed
US-6930196-B2 Polyurethane hydrogel contact lens NOVARTIS AG (CH) 2005-08-16 US claimed
US-5998510-A POLYESTERURETHANE COPOLYMER PREMIX, INC. (US) 1999-12-07 US claimed
US-5134189-A Isocyanate, Imino Compound, Polymeric Binder MITSUBISHI PAPER MILLS LIMITED (JP) 1992-07-28 US claimed
US-5102918-A Storage stability; smokeless foam NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) 1992-04-07 US claimed
US-4849262-A Pigment printing pastes and dyeing liquors containing stable dispersions of finely divided solid polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1989-07-18 US claimed
EP-0048117-A2 In-mold coating compositions containing a non-isocyanate-reactive unsaturated resin, a non-isocyanate-reactive monomer and a free isocyanate-containing compound ICI AMERICAS INC. (US) 1982-03-24 EP claimed