SCHEMBL98083

SCHEMBL98083

O=CCCC1CC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL96803 0.88 — —
SCHEMBL3020365 0.88 — —
SCHEMBL1895073 0.87 ALDH1A1 (0.38) —
SCHEMBL911290 0.87 EPHX2 (0.30) —
SCHEMBL1894593 0.87 ALDH1A1 (0.43) —
SCHEMBL2913315 0.87 ALDH1A1 (0.43) —
SCHEMBL1897478 0.87 ALDH1A1 (0.32) —
SCHEMBL4165259 0.87 — —
SCHEMBL887220 0.87 — —
SCHEMBL21114254 0.86 ADH1B (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019935-B Water-based lignin-based epoxy resin coating and preparation method thereof 广东拓普合成科技股份有限公司 2025-02-18 — — CN claimed
CN-119019935-A Water-based lignin-based epoxy resin coating and preparation method thereof 广东拓普合成科技股份有限公司 2024-11-26 — — CN claimed
CN-109438203-A A kind of preparation method of 2- cyclopropylpropanal 淮安国瑞化工有限公司 2019-03-08 — — CN claimed
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 — — EP claimed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 — — US claimed
CN-105189498-B Geminally substituted cyanoethylpyrazolopyridinones as JANUS kinase inhibitors 默沙东公司 2017-06-27 — — CN claimed
US-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 — — US claimed
EP-2976339-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 — — EP claimed
CN-105189498-A Geminally substituted cyanoethylpyrazolopyridinones as JANUS kinase inhibitors MERCK SHARP & DOHME 2015-12-23 — — CN claimed
CN-105152886-A Synthetic method of 1-(4-chlorophenyl)-2-cyclopropyl-1-propanone RUDONG ZHONGYI CHEMICAL CO LTD 2015-12-16 — — CN claimed
WO-2014146491-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 — — WO claimed
US-8486892-B2 Blood coagulation factor inhibitors NOVO NORDISK HEALTH CARE AG (CH) 2013-07-16 — — US claimed
US-8357675-B2 17-alpha-substituted derivatives of estradiol with wound-healing activity EUTICALS S.P.A. (IT) 2013-01-22 — — US claimed
US-20110003752-A1 New Blood Coagulation Factor Inhibitors NOVO NORDISK HEALTH CARE A/G (CH) 2011-01-06 — — US claimed
EP-2235042-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS Novo Nordisk Health Care AG (CH) 2010-10-06 — — EP claimed
WO-2009092758-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (DK) 2009-07-30 — — WO claimed
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 — — US claimed
US-12528822-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-01-20 — — US disclosed
US-4094983-A \"KETO\" SYMPATHOMIMETIC AMINES INTERX RESEARCH CORPORATION (US) 1978-06-13 — — US disclosed
US-4035405-A Novel synthesis for preparing the hydrochloride salt of selected catecholamine derivatives INTERX RESEARCH CORPORATION (US) 1977-07-12 — — US disclosed
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