SCHEMBL436041

SCHEMBL436041

Cc1cc(CN=C=O)c(C)c(CN=C=O)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 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
SCHEMBL21175624 0.86 CYP3A4 (0.31) CYP3A4
SCHEMBL27705400 0.79 PGK1 (0.35) CYP3A4
SCHEMBL459297 0.79 PGK1 (0.40) CYP3A4
SCHEMBL21569375 0.78 PYCR1 (0.36)
SCHEMBL3459587 0.77 GABRA1 (0.47) CYP3A4
SCHEMBL29387247 0.77
SCHEMBL434565 0.77
SCHEMBL14916725 0.77 TAAR1 (0.47) CYP3A4
SCHEMBL16933931 0.77 GABRA1 (0.39) CYP3A4
SCHEMBL459569 0.76 NPSR1 (0.37) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305107-A1 AGING-RESISTANT MOISTURE-CURING COMPOSITIONS Covestro Deutschland AG (DE) 2024-01-17 EP disclosed
CN-117362576-A Aqueous polyurethane urea dispersions 科思创知识产权两合公司 2024-01-09 CN disclosed
CN-113677727-B Aqueous polyurethane urea dispersions 科思创知识产权两合公司 2023-10-31 CN disclosed
EP-4107198-A1 POLYISOCYANATE PREPARATIONS Covestro Deutschland AG (DE) 2022-12-28 EP disclosed
CN-113677727-A Aqueous polyurethane urea dispersions 科思创知识产权两合公司 2021-11-19 CN disclosed
US-20200362196-A1 AQUEOUS DISPERSION COVESTRO DEUTSCHLAND AG (DE) 2020-11-19 US disclosed
CN-111748075-A Aqueous polyurethane urea dispersions 科思创德国股份有限公司 2020-10-09 CN disclosed
CN-111527118-A Aqueous dispersion 科思创德国股份有限公司 2020-08-11 CN disclosed
EP-3546493-A1 AQUEOUS DISPERSION Covestro Deutschland AG (DE) 2019-10-02 EP disclosed
EP-2596042-A1 POLYISOCYANATE MIXTURES Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
WO-2012010523-A1 POLYISOCYANATE MIXTURES BAYER MATERIALSCIENCE AG (DE) 2012-01-26 WO disclosed