SCHEMBL83045

SCHEMBL83045

C=CCC(=O)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
SCHEMBL10886655 0.78 ALDH1A1 (0.36)
SCHEMBL10886660 0.78 ALDH1A1 (0.36)
SCHEMBL11973890 0.78 TSHR (0.36)
SCHEMBL175817 0.78
SCHEMBL1292866 0.73
SCHEMBL11235245 0.73
SCHEMBL9067520 0.73
SCHEMBL30740 0.73
SCHEMBL11068034 0.73
SCHEMBL11068029 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112761020-A Ultra-light paper pulp molding material and preparation method thereof 运研材料科技(上海)有限公司 2021-05-07 CN claimed
CN-112431061-A Ultra-light paper pulp molding material and preparation method thereof 运研材料科技(上海)有限公司 2021-03-02 CN claimed
CN-104302290-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-01-21 CN claimed
CN-101573340-A Modulators of glucocorticoid receptor AP-1 and/or NF-kB activity and uses thereof BRISTOL MYERS SQUIBB CO (US) 2009-11-04 CN claimed
US-20090087339-A1 METHOD FOR FORMING RUTHENIUM COMPLEX FILM USING Beta-DIKETONE-COORDINATED RUTHENIUM PRECURSOR ASM JAPAN K.K. (JP) 2009-04-02 US claimed
US-20070185143-A1 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-08-09 US claimed
US-6586475-B1 5-chloro-N-(2-N,N-diethylamino)ethyl)-2- methoxy-4-(1-naphthoylamino)benzamide and prodrugs, used for prevention of neurodegenarative diseases such as Alzheimer's disease TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US claimed
US-20030092723-A1 Method for producing asymmetrical 4,6-bis(aryloxy)pyrimidine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-05-15 US claimed
CN-1368972-A Non-steroidal IL-5 inhibitors, process for their preparation and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA NV (BE) 2002-09-11 CN claimed
CN-1264377-A Substituted pyrazoles as P38 kinase inhabitors SEARLE & CO (US) 2000-08-23 CN claimed
EP-0147593-B1 PROCESS FOR THE PREPARATION OF MONO- OR BIS-CARBONYL COMPOUNDS Chemie Linz Gesellschaft m.b.H. (AT) 1990-02-28 EP claimed
EP-0146784-B1 PROCESS FOR THE PRODUCTION OF GLYOXAL, ALKYLGLYOXALES AND OF THEIR ACETALES Chemie Linz Gesellschaft m.b.H. (AT) 1989-03-08 EP claimed
US-4769464-A Process for the preparation of monocarbonyl or biscarbonyl compounds CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1988-09-06 US claimed
EP-0264261-A2 Preparation of N-substituted piperazinones THE DOW CHEMICAL COMPANY (US) 1988-04-20 EP claimed
EP-0108351-B1 USE OF SUBSTITUTED MALONIC-ACID DERIVATIVES AS PESTICIDES BAYER AG (DE) 1987-07-22 EP claimed
US-4607126-A Process for the preparation of glyoxal, alkylglyoxals and acetals thereof CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-08-19 US claimed
JP-60190731-A None JP disclosed
JP-11246533-A None JP disclosed
EP-0011417-A1 Optically active or racemic aminal derivatives, process for preparing same and for converting same to alpha-hydroxyaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-28 EP disclosed
US-3946057-A ALKYLENE OXIDE, METAL HALIDE, POLAR SOLVENT UNION CARBIDE CORPORATION (US) 1976-03-23 US disclosed