SCHEMBL756180

SCHEMBL756180

O=C=NCC1CC2C3CC(CN=C=O)C(C3)C2C1

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
SCHEMBL20893282 0.79
SCHEMBL21154986 0.76
SCHEMBL29039916 0.74
SCHEMBL1900904 0.74
SCHEMBL1901687 0.74
SCHEMBL374862 0.73
SCHEMBL9562483 0.73
SCHEMBL95678 0.72
SCHEMBL11026717 0.71
SCHEMBL19021594 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020197156-A1 COMPOSITION FOR EPISULFIDE-BASED HIGH REFRACTIVE OPTICAL MATERIAL, AND METHOD FOR MANUFACTURING OPTICAL MATERIAL USING SAME 주식회사 케이오씨솔루션 2020-10-01 WO claimed
US-10399935-B2 Method for producing 3-mercaptopropionic acid, and methods using same for producing carboxylic acid ester compound having mercapto group and thiourethane-based optical material KOC SOLUTION, LTD. (KR) 2019-09-03 US claimed
EP-3094661-B1 COMPOSITIONS WITH ENHANCED FLEXIBILITY MOMENTIVE PERFORMANCE MAT INC (US) 2019-06-19 EP claimed
EP-2853527-B1 NOVEL METHOD FOR PREPARING POLYTHIOL COMPOUND AND POLYMERIC COMPOSITION FOR OPTICAL MATERIAL COMPRISING SAME KOC SOLUTION CO LTD (KR) 2018-09-19 EP claimed
US-20180179154-A1 METHOD FOR PRODUCING 3-MERCAPTOPROPIONIC ACID, AND METHODS USING SAME FOR PRODUCING CARBOXYLIC ACID ESTER COMPOUND HAVING MERCAPTO GROUP AND THIOURETHANE-BASED OPTICAL MATERIAL KOC SOLUTION, LTD. (KP) 2018-06-28 US claimed
EP-3312157-A2 METHOD FOR PRODUCING 3-MERCAPTOPROPIONIC ACID, AND METHODS USING SAME FOR PRODUCING CARBONIC ACID ESTER COMPOUND HAVING MERCAPTO GROUP AND THIOURETHANE-BASED OPTICAL MATERIAL KOC Solution Co., Ltd. (KR) 2018-04-25 EP claimed
US-20170283544-A1 COMPOSITIONS WITH ENHANCED FLEXIBILITY MOMENTIVE PERFORMANCE MATERIALS INC. 2017-10-05 US claimed
US-9522879-B2 Method for preparing polythiol compound and polymeric composition for optical material comprising same KOC SOLUTION CO., LTD (KR) 2016-12-20 US claimed
EP-3094661-A1 COMPOSITIONS WITH ENHANCED FLEXIBILITY Momentive Performance Materials Inc. (US) 2016-11-23 EP claimed
US-20160251472-A1 POLYFUNCTIONAL URETHANE (METH)ACRYLATES COMPRISING LOW-MONOMER-CONTENT DIISOCYANATE MONOADDUCTS EVONIK DEGUSSA GMBH (DE) 2016-09-01 US claimed
WO-2015108905-A1 COMPOSITIONS WITH ENHANCED FLEXIBILITY MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2015-07-23 WO claimed
US-20150148512-A1 NOVEL METHOD FOR PREPARING POLYTHIOL COMPOUND AND POLYMERIC COMPOSITION FOR OPTICAL MATERIAL COMPRISING SAME KOC SOLUTION CO., LTD (KR) 2015-05-28 US claimed
EP-2853527-A1 NOVEL METHOD FOR PREPARING POLYTHIOL COMPOUND AND POLYMERIC COMPOSITION FOR OPTICAL MATERIAL COMPRISING SAME KOC Solution Co. Ltd. (KR) 2015-04-01 EP claimed
EP-2805949-A1 METHOD FOR PREPARING THIOEPOXY-BASED OPTICAL MATERIAL AND POLYMERIZABLE COMPOSITION THEREOF KOC Solution Co. Ltd. (KR) 2014-11-26 EP claimed
US-8841479-B2 Low monomer 1 : 1 monoadducts of reactive olefinic compounds and diisocyanates using insertable inhibitors EVONIK DEGUSSA GMBH (DE) 2014-09-23 US claimed
EP-2367864-B1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS EVONIK DEGUSSA GMBH (DE) 2012-10-03 EP claimed
US-20110251424-A1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS EVONIK DEGUSSA GMBH (DE) 2011-10-13 US claimed
EP-1669385-B1 Continuous method for manufacturing an acid functional blocked solid isocyanate BAYER MATERIALSCIENCE LLC (US) 2011-05-04 EP claimed
EP-4705279-A1 RADICALLY POLYMERISABLE COMPOUND AND COMPOSITION Mühlbauer Technology GmbH (DE) 2026-03-11 EP disclosed
US-4424353-A INTERMEDIATES FOR ISOCYANATE ADDUCTS, EPOXY RESIN CURING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed