SCHEMBL172872

SCHEMBL172872

CC(=O)[C@H](C)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
SCHEMBL270417 1.00
SCHEMBL12880101 1.00
SCHEMBL1397155 0.84 LMNA (0.42)
SCHEMBL12737240 0.84 LMNA (0.42)
SCHEMBL17627863 0.79 ALDH1A1 (0.32)
SCHEMBL15834916 0.79 ALDH1A1 (0.32)
SCHEMBL14123059 0.77 LMNA (0.36)
SCHEMBL4607962 0.76 TP53 (0.35)
SCHEMBL15473838 0.76 TP53 (0.35)
SCHEMBL18211452 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors Merck Sharp & Dohme, LLC (US) 2024-05-07 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-11639334-B2 Methods for synthesis of oxypicolinamides CORTEVA AGRISCIENCE LLC (US) 2023-05-02 US disclosed
US-9982005-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-29 US disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-20170305953-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-10-26 US disclosed
US-9656968-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA L.P. 2017-05-23 US disclosed
WO-2017076998-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2017-05-11 WO disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
US-20130210785-A1 PROGESTERONE ANALOGS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-15 US disclosed
US-8394922-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, INC. (US) 2013-03-12 US disclosed
EP-2471773-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 EP disclosed
EP-1521125-B1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH CO LTD (JP) 2012-03-07 EP disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2011-02-03 US disclosed
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
US-7309552-B2 Containing the reaction product of a dibenzo [a,c]phenadine-2,7-bisdiazonium salt and a coupler such as N-benzyl-2-hydroxy-7,8-naphthalic acid imide; stilbene charge transport material; 1alkylidene-2,3-diphenylindene acceptor; biphenol; copolycarbonate containing arylamine groups; highly durable RICOH COMPANY, LTD. (JP) 2007-12-18 US disclosed
US-20070032646-A1 Novel taxanes and methods related to use and preparation thereof INNOVATIONAL HOLDINGS LLC 2007-02-08 US disclosed