SCHEMBL161853

SCHEMBL161853

COc1c[c]cc(C)c1

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
SCHEMBL63193 0.84 ALDH1A1 (0.59)
SCHEMBL28321856 0.81 ALDH1A1 (0.56)
SCHEMBL28089288 0.81 ALDH1A1 (0.56)
SCHEMBL28108949 0.81 ALDH1A1 (0.56)
SCHEMBL28007784 0.81 ALDH1A1 (0.56)
SCHEMBL4632591 0.79 CA1 (0.38)
SCHEMBL5740806 0.76 NQO1 (0.44)
SCHEMBL9254 0.75
SCHEMBL27957637 0.75 ALDH1A1 (0.48)
SCHEMBL16953097 0.75 KIF11 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US claimed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP claimed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN claimed
CN-115335378-A Monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-11 CN claimed
CN-113135922-A Azacycloheptane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2021-07-20 CN claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-20200123181-A1 METHOD FOR PREPARING ARYLALKOXYSILANES BY DEHYDROGENATIVE SILYLATION DOW SILICONES CORP (US) 2020-04-23 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP claimed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US claimed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US claimed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US claimed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US claimed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO claimed