SCHEMBL592247

SCHEMBL592247

O=C(O)C#CBr

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
SCHEMBL8248102 0.74
SCHEMBL4200 0.74
SCHEMBL9418842 0.74
SCHEMBL1331044 0.74
SCHEMBL27936352 0.72
Bicarbonate SCHEMBL25170877 0.70
SCHEMBL3887603 0.70
Hydrochloric Acid SCHEMBL7607020 0.70 CA1 (0.36)
SCHEMBL2838353 0.70
Water SCHEMBL28416324 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101462078-B Hydrogenation catalyst steeping fluid composition and preparation method of hydrogenation catalyst CHINA PETROCHEMICAL CORP 2011-08-10 CN claimed
CN-101462078-A Hydrogenation catalyst steeping fluid composition and preparation method of hydrogenation catalyst CHINA PETROCHEMICAL CORP (CN) 2009-06-24 CN claimed
EP-0649835-A1 Halopropiolamide compound, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-26 EP claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114025608-A ULV formulations with high spreading and absorption 拜耳公司 2022-02-08 CN disclosed
CN-108047177-B Method for synthesizing benzofuran beta-dehydrogenation unnatural amino acid in one step 江苏欣诺科催化剂有限公司 2021-05-11 CN disclosed
US-20120183962-A1 CRUDE BIOLOGICAL DERIVATIVES COMPETENT FOR NUCLEIC ACID DETECTION APPLIED BIOSYSTEMS, LLC (US) 2012-07-19 US disclosed
US-8114594-B2 Crude biological derivatives competent for nucleic acid detection Applied Biosysyems, LLC (US) 2012-02-14 US disclosed
CN-101462078-B Hydrogenation catalyst steeping fluid composition and preparation method of hydrogenation catalyst CHINA PETROCHEMICAL CORP 2011-08-10 CN disclosed
US-20100167287-A1 CRUDE BIOLOGICAL DERIVATIVES COMPETENT FOR NUCLEIC ACID DETECTION Life Technologies Corporation (US) 2010-07-01 US disclosed
CN-101462078-A Hydrogenation catalyst steeping fluid composition and preparation method of hydrogenation catalyst CHINA PETROCHEMICAL CORP (CN) 2009-06-24 CN disclosed
US-20050277121-A1 Crude biological derivatives competent for nucleic acid detection AMBION, INC. 2005-12-15 US disclosed
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP disclosed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP disclosed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO disclosed
US-5538998-A PEST CONTROL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-23 US disclosed
EP-0649835-A1 Halopropiolamide compound, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-26 EP disclosed
EP-0057058-B1 A METHOD OF PRESERVING ORGANIC MATERIALS FROM FUNGAL ATTACK AND A COMPOSITION FOR USE IN SUCH A METHOD SANKYO COMPANY LIMITED (JP) 1984-04-11 EP disclosed
US-4421766-A 3-HALO-2,3-DIIODOACRYLIC ACID OR ESTER SANKYO CO., LTD. (JP) 1983-12-20 US disclosed
EP-0057058-A1 A method of preserving organic materials from fungal attack and a composition for use in such a method SANKYO COMPANY LIMITED (JP) 1982-08-04 EP disclosed