SCHEMBL253538

SCHEMBL253538

C=CC(=O)C[C]=O

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
SCHEMBL1417274 0.74
SCHEMBL11034713 0.74
SCHEMBL9348124 0.73
SCHEMBL290398 0.70
SCHEMBL3629050 0.67 TSHR (0.56)
SCHEMBL236173 0.67
SCHEMBL3467958 0.67
SCHEMBL3511073 0.65
SCHEMBL1704519 0.65
SCHEMBL9058598 0.65

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1025677-C Novel heterocyclic pesticidal compounds WELLCOME FOUND (GB) 1994-08-17 CN claimed
CN-115551924-A Low endotoxin (meth) acryloyl gelatin 罗赛洛公司 2022-12-30 CN disclosed
EP-3374512-A1 POLYPEPTIDES FOR CARBON-CARBON BOND FORMATION AND USES THEREOF INVISTA Textiles (U.K.) Limited (GB) 2018-09-19 EP disclosed
WO-2017083656-A1 POLYPEPTIDES FOR CARBON-CARBON BOND FORMATION AND USES THEREOF INVISTA NORTH AMERICA S.A.R.L (US) 2017-05-18 WO disclosed
WO-2016097289-A1 ENZYMATIC PRODUCTION OF ACRYLYL-COA OR ETHYLENE FROM GLYCEROL GLOBAL BIOENERGIES (FR) 2016-06-23 WO disclosed
EP-2971021-A2 MICROORGANISMS AND METHODS FOR PRODUCING BUTADIENE AND RELATED COMPOUNDS BY FORMATE ASSIMILATION Genomatica, Inc. (US) 2016-01-20 EP disclosed
US-20150152440-A1 MODIFIED MICROORGANISMS AND METHODS OF CO-PRODUCING BUTADIENE WITH 1-PROPANOL AND/OR 1,2-PROPANEDIOL BRASKEM S.A. (BR) 2015-06-04 US disclosed
US-20150064760-A1 MODIFIED MICROORGANISM AND METHODS OF USING SAME FOR PRODUCING BUTADIENE AND 1-PROPANOL AND/OR 1,2-PROPANEDIOL BRASKEM S.A. (BR) 2015-03-05 US disclosed
WO-2015017404-A1 METHODS FOR BIOSYNTHESIZING 3-OXOPENT-4-ENOYL-CoA INVISTA NORTH AMERICA S.A.R.L. (US) 2015-02-05 WO disclosed
WO-2014152434-A2 MICROORGANISMS AND METHODS FOR PRODUCING BUTADIENE AND RELATED COMPOUNDS BY FORMATE ASSIMILATION GENOMATICA, INC. (US) 2014-09-25 WO disclosed
CN-103958675-A Polypeptides having xylanase activity and polynucleotides encoding same NOVOZYMES AS 2014-07-30 CN disclosed
EP-2756082-A1 MICROORGANISMS AND METHODS FOR PRODUCING ALKENES Genomatica, Inc. (US) 2014-07-23 EP disclosed
WO-2014106122-A1 COMPOSITIONS AND METHODS FOR BIO-BUTADIENE PRODUCTION SCREENING GENOMATICA, INC. (US) 2014-07-03 WO disclosed
WO-2013040383-A1 MICROORGANISMS AND METHODS FOR PRODUCING ALKENES GENOMATICA, INC. (US) 2013-03-21 WO disclosed
WO-2012018624-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA, INC. (US) 2012-02-09 WO disclosed
US-8088209-B2 Cationic liquid starchy composition and uses thereof ROQUETTE FRERES (FR) 2012-01-03 US disclosed
CN-101511392-A Nanogel contrast agents for optical molecular imaging CARESTREAM HEALTH INC (US) 2009-08-19 CN disclosed
US-20060180289-A1 Cationic liquid starchy composition and uses thereof ROQUETTE FRERES (FR) 2006-08-17 US disclosed