SCHEMBL4546154

SCHEMBL4546154

COc1c(C)c[n+]([O-])c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALDH1A1 P00352 1/20 0.31
AGXT P21549 1/20 0.31
CYP19A1 P11511 1/20 0.30
NQO2 P16083 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
SCHEMBL11116745 0.88 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL10664892 0.81 ACHE (0.37) ALDH1A1CYP19A1NQO2
SCHEMBL13175227 0.81
SCHEMBL2111129 0.79
SCHEMBL192045 0.79 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL192671 0.79 CA2 (0.33)
SCHEMBL8830029 0.79 HSP90AA1 (0.34) HSP90AA1HSP90AB1AGXT
SCHEMBL193574 0.79 CA2 (0.33)
SCHEMBL9784645 0.78
SCHEMBL8500418 0.76 SMN1; SMN2 (0.31)

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 34 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-110317164-B Preparation method of omeprazole intermediate 抚州三和医药化工有限公司 2022-08-19 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-111943883-A Production process of Orimei chloride 抚州三和医药化工有限公司 2020-11-17 CN claimed
US-5292886-A Process for the preparation of 2-halomethyl-3,5-dimethyl-4-methoxypyridine halohydrate ESTEVE QUIMICA, S.A., A CORP. OF SPAIN (ES) 1994-03-08 US claimed
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-111943883-A Production process of Orimei chloride 抚州三和医药化工有限公司 2020-11-17 CN disclosed
CN-111943883-A Production process of Orimei chloride 抚州三和医药化工有限公司 2020-11-17 CN disclosed
CN-111303018-A Synthetic method of omeprazole intermediate 浙江华洲药业有限公司 2020-06-19 CN disclosed
CN-110317164-A A kind of preparation method of intermediate of omeprazole 抚州三和医药化工有限公司 2019-10-11 CN disclosed
EP-0226558-A2 Chemical intermediates and methods for their preparation Aktiebolaget Hässle (SE) 1987-06-24 EP disclosed
US-4634710-A ANTIULCER, ANTISECRETORY HOFFMANN-LA ROCHE INC. (US) 1987-01-06 US 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-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