SCHEMBL1493093

SCHEMBL1493093

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.60
TRPA1 O75762 1/20 0.47
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MAPK1 P28482 1/20 0.31
ACHE P22303 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
SCHEMBL16707388 0.89 CYP3A4 (0.48) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL29184138 0.85 CYP3A4 (0.45) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL30785384 0.85 CYP3A4 (0.45) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL17047430 0.83 CYP3A4 (0.46) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL15317 0.83 CYP3A4 (0.61) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL6531667 0.81 CYP3A4 (0.45) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL1484001 0.81 CYP3A4 (0.56) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL11504606 0.81 CYP3A4 (0.56) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL6057020 0.81 CYP3A4 (0.59) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL9840792 0.81 CYP3A4 (0.56) 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 205 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240141093-A1 Polyol and a Process for the Preparation Thereof BASF SE (DE) 2024-05-02 US claimed
EP-4308629-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2024-01-24 EP claimed
EP-4305085-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-01-17 EP claimed
CN-116997590-A Polyol and process for producing the same 巴斯夫欧洲公司 2023-11-03 CN claimed
CN-116964122-A Polyurea copolymers 巴斯夫欧洲公司 2023-10-27 CN claimed
WO-2022194979-A9 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2023-07-20 WO claimed
US-20230092952-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-23 US claimed
US-20230062261-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-02 US claimed
CN-114846043-A Polyurea copolymers 巴斯夫欧洲公司 2022-08-02 CN claimed
CN-114829442-A Polyurea copolymers 巴斯夫欧洲公司 2022-07-29 CN claimed
WO-2021122472-A1 POLYUREA COPOLYMER BASF SE (DE) 2021-06-24 WO claimed
WO-2021122480-A1 POLYUREA COPOLYMER BASF SE (DE) 2021-06-24 WO claimed
CN-106186954-A A kind of novel high-strength type foam concrete and preparation method thereof 江苏中铁奥莱特新材料股份有限公司 2016-12-07 CN claimed
US-20240141093-A1 Polyol and a Process for the Preparation Thereof BASF SE (DE) 2024-05-02 US disclosed
WO-2024084957-A1 POLISHING METHOD AND METHOD FOR PRODUCING SEMICONDUCTOR COMPONENT AGC株式会社 2024-04-25 WO disclosed
WO-2024064691-A1 SYSTEM AND METHOD FOR PFAS CONTAINMENT BASF SE (DE) 2024-03-28 WO disclosed
US-4088670-A P-(DIMETHYLVINYLSILYL-METHOXY)-BENZOYL CHLORIDE FROM DIMETHYLVINYL-CHLOROMETHYLSILANE AND A P-HYDROXYBENZOIC ACID RHONE-POULENC INDUSTRIES (FR) 1978-05-09 US disclosed
US-4070509-A APPLYING POLYURETHANE COATING TO SUBSTRATE AND CURING SAME GROW CHEMICAL CORPORATION (US) 1978-01-24 US disclosed
US-3998768-A Thermosetting powder coating composition of a blend of acrylic polymers having different glass transition temperatures and a blocked polyisocyanate cross-linking agent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-21 US disclosed
US-3969569-A ALLYL ALCOHOL POLYMER AND A POLYISOCYANATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-07-13 US disclosed