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
SCHEMBL3020365 0.88
SCHEMBL96803 0.88
SCHEMBL1897478 0.87 ALDH1A1 (0.32)
SCHEMBL4165259 0.87
SCHEMBL2913315 0.87 ALDH1A1 (0.43)
SCHEMBL1895073 0.87 ALDH1A1 (0.38)
SCHEMBL887220 0.87
SCHEMBL1894593 0.87 ALDH1A1 (0.43)
SCHEMBL911290 0.87 EPHX2 (0.30)
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