SCHEMBL800591

SCHEMBL800591

COC(C)C(=O)C(C)C

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
SCHEMBL800604 1.00
SCHEMBL15114268 1.00
SCHEMBL6843879 0.87 SMN1; SMN2 (0.33)
SCHEMBL27342199 0.82 CA12 (0.30)
SCHEMBL3975375 0.77
SCHEMBL14893771 0.75 CA12 (0.31)
SCHEMBL10715329 0.75 TP53 (0.36)
SCHEMBL19913927 0.73
SCHEMBL18743975 0.73 TSHR (0.35)
SCHEMBL12766256 0.73 TSHR (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260019-A Hyperbranched perfluoroketone and application thereof in heat conduction work 三明市海斯福化工有限责任公司 2022-11-01 CN claimed
CN-115260019-B Hyperbranched perfluoro-ketone and application thereof in heat conduction operation 三明市海斯福化工有限责任公司 2024-03-26 CN disclosed
CN-115260019-A Hyperbranched perfluoroketone and application thereof in heat conduction work 三明市海斯福化工有限责任公司 2022-11-01 CN disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
WO-2015061468-A1 POLYMER NANOPARTICLES CONTAINING MULTIPLE AGENTS AND METHODS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-04-30 WO disclosed
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
WO-2012177782-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 WO disclosed
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-22 US disclosed
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-06-23 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 US disclosed
US-20110065739-A1 NOVEL ISOXAZOLE DRIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-17 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100035920-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2010-02-11 US disclosed
US-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE MEDICINOVA, INC. 2009-12-24 US disclosed
US-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE MEDICINOVA, INC. 2009-12-24 US disclosed
US-7585875-B2 Substituted pyrazolo[1,5-a]pyridine compounds and their methods of use AVIGEN, INC. (US) 2009-09-08 US disclosed