SCHEMBL9575202

SCHEMBL9575202

CC(N=C=O)c1ccccc1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MIF P14174 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL331134 0.84 MIF (0.39) CYP3A4ALDH1A1HPGDMIFGABRA1
SCHEMBL462794 0.82 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL28864346 0.82 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL9164483 0.81 CYP3A4 (0.45) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL365140 0.78 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL7723450 0.78 CYP3A4 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL1140210 0.78 CYP3A4 (0.42) CYP3A4TRPA1
SCHEMBL28927829 0.77 CYP3A4 (0.54) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL8755636 0.77 ESR1 (0.42) CYP3A4ALDH1A1MIF
SCHEMBL27978287 0.77 ESR1 (0.42) CYP3A4ALDH1A1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023377-A Double curing monomers 3M创新有限公司 2019-07-16 CN disclosed
CN-109071994-A The product for being subjected to ice formation including the rejection surface comprising fluorochemical materials 3M创新有限公司 2018-12-21 CN disclosed
CN-108473861-A Curable quantum dot composition and product 3M创新有限公司 2018-08-31 CN disclosed
CN-108431172-A ARTICLE COMPRISING PARTICLES WITH QUANTUM DOTS 3M创新有限公司 2018-08-21 CN disclosed
CN-108348937-A Spray application system components and methods including liquid repellent surfaces 3M创新有限公司 2018-07-31 CN disclosed
CN-108137987-A Fluorochemical composition and method 3M创新有限公司 2018-06-08 CN disclosed
CN-104937004-B Polyether polyols, synthetic leather and method 3M创新有限公司 2017-06-13 CN disclosed
CN-104520347-B Photocurable compositions 3M创新有限公司 2016-09-28 CN disclosed
CN-104937004-A POLYURETHANE POLYMER, SYNTHETIC LEATHER, AND METHOD 3M INNOVATIVE PROPERTIES CO 2015-09-23 CN disclosed
CN-104737075-A Photocurable composition 3M INNOVATIVE PROPERTIES CO 2015-06-24 CN disclosed
US-4210702-A Process for the manufacture of soluble copolymers which contain hydroxyl groups and which copolymers can be crosslinked with organic polyisocyanates HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-01 US disclosed
US-4163836-A STYRENE, METHYL METHACRYLATE, HYDROXYETHYL METHACRYLATE, ACRYLIC ACID, GLYCIDYL ESTER OF MONOCARBOXYLIC ACIDS, WATER RESISTANT, ELASTIC, NON-TACKY HOECHST AKTIENGESELLSCHAFT (DE) 1979-08-07 US disclosed
US-4145513-A STYRENE-ACRYLIC ACID-METHYL METHACRYLATE-HYDROXYETHYL METHACRYLATE-GLYCIDYL ESTER POLYMER HOECHST AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed
US-4113667-A SPECIFIC AMINES DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1978-09-12 US disclosed
US-4088614-A POLYETHERPOLYOL, POLYESTERPOLYOL, POLYISOCYANATE, WATER, FOAMING AGENT, EMULSIFYING AGENT DAI-ICHI KOGYO SEIYAKU CO., LTD. (JA) 1978-05-09 US disclosed
US-4051165-A Preparation of biuret polyisocyanates BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4049590-A MIXING POLYOL- POLYETHERS OR POLYESTERS WITH A CROSSLINKED ADDITION POLYMER AND A CROSSLINKING AGENT, THEN REACTING WITH A POLYISOCYANATE BASF AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-3988268-A Polyurethane foam plastics which contain ionic groups BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3976622-A POLYURETHANES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 US disclosed
US-3969262-A Process for the production of synthetic plastics comprising urethane groups and biuret groups BAYER AKTIENGESELLSCHAFT (DT) 1976-07-13 US disclosed