SCHEMBL286168

SCHEMBL286168

Cc1cc(C)c(C)[n+]([O-])c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 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
SCHEMBL6026196 1.00 RAPGEF4 (0.31) RAPGEF4
SCHEMBL29385092 1.00 RAPGEF4 (0.31) RAPGEF4
SCHEMBL6026676 0.82
SCHEMBL11116745 0.80 HSP90AA1 (0.32)
SCHEMBL20128346 0.75
SCHEMBL191365 0.75 ALDH1A1 (0.31)
SCHEMBL2085147 0.75
SCHEMBL2110353 0.75 ALDH1A1 (0.34)
SCHEMBL2112663 0.75 ALDH1A1 (0.32)
SCHEMBL191997 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114184699-B Method for determining potential genotoxic impurities in esomeprazole sodium by liquid chromatography-mass spectrometry 北京悦康科创医药科技股份有限公司 2023-08-15 CN claimed
CN-114184699-A Method for determining potential genotoxic impurities in esomeprazole sodium by liquid chromatography-mass spectrometry 北京悦康科创医药科技股份有限公司 2022-03-15 CN claimed
CN-114044752-A Production method of omeprazole drug intermediate 2-chloromethyl-3, 5-dimethyl-4-methoxypyridine hydrochloride 上海卓鼎生物技术有限公司 2022-02-15 CN claimed
CN-112645873-A Synthetic method of 4-methoxy-2, 3, 5-trimethyl-pyridine nitrogen oxide 荆楚理工学院 2021-04-13 CN claimed
CN-111943883-A Production process of Orimei chloride 抚州三和医药化工有限公司 2020-11-17 CN claimed
CN-109836380-A A kind of preparation method of 4- nitro -2,3,5- trimethylpyridine-N- oxide 盘锦研峰科技有限公司 2019-06-04 CN claimed
CN-102942523-A Preparation method of omeprazole intermediate 2,3,5-trimethylpyridyl-N-oxide Shouguang fukang pharmaceutical co ltd 2013-02-27 CN claimed
CN-101397293-B Green nitration method based on ion liquid catalysis ZHEJIANG HUAYI MELANGE MEDICINE CO LTD 2012-08-22 CN claimed
CN-101417910-B Green nitration method of prazoles intermediate ZHEJIANG HUAYI PHARMACEUTICAL CO LTD 2011-07-20 CN claimed
CN-117865882-A Preparation method of 4-nitropyridine-N-oxide 滁州学院 2024-04-12 CN disclosed
CN-110317164-B Preparation method of omeprazole intermediate 抚州三和医药化工有限公司 2022-08-19 CN disclosed
CN-114044752-A Production method of omeprazole drug intermediate 2-chloromethyl-3, 5-dimethyl-4-methoxypyridine hydrochloride 上海卓鼎生物技术有限公司 2022-02-15 CN disclosed
CN-112645873-A Synthetic method of 4-methoxy-2, 3, 5-trimethyl-pyridine nitrogen oxide 荆楚理工学院 2021-04-13 CN disclosed
CN-112645873-A Synthetic method of 4-methoxy-2, 3, 5-trimethyl-pyridine nitrogen oxide 荆楚理工学院 2021-04-13 CN disclosed
US-4620008-A Processes for the preparation of omeprazole and intermediates therefore AKTIEBOLAGET HASSLE (SE) 1986-10-28 US disclosed
US-4560693-A ANTISECRETORY, ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-12-24 US disclosed
US-4555518-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-11-26 US disclosed
US-4544750-A Certain pyridyl-N-oxide intermediates for the preparation of omeprazole AKTIEBOLAGET HASSLE (SE) 1985-10-01 US disclosed
US-4472409-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-18 US disclosed
EP-0103553-A1 Intermediates for the preparation of omeprazole Aktiebolaget Hässle (SE) 1984-03-21 EP disclosed