SCHEMBL1096183

SCHEMBL1096183

CC(C)[C@H](CO)C(=O)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
SCHEMBL14803640 1.00
SCHEMBL407037 1.00
SCHEMBL21625547 0.81 SLC1A3 (0.38)
SCHEMBL3901335 0.81 TDP1 (0.50)
SCHEMBL4948304 0.80 SLC1A3 (0.39)
SCHEMBL8384843 0.80
SCHEMBL188173 0.78 SLC1A3 (0.48)
Bicarbonate SCHEMBL38662559 0.78 OR51E2 (0.43)
SCHEMBL2738309 0.78 SLC1A3 (0.48)
SCHEMBL27681307 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952352-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2024-04-09 US disclosed
US-20230339851-A1 CXCR6 SULFONAMIDE COMPOUNDS CHEMOCENTRYX, INC. 2023-10-26 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230234929-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
EP-4208261-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2023-07-12 EP disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-115894606-A RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
US-11566007-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-01-31 US disclosed
EP-4054719-A1 RAS INHIBITORS Revolution Medicines, Inc. (US) 2022-09-14 EP disclosed
CN-114786777-A RAS inhibitors 锐新医药公司 2022-07-22 CN disclosed
US-20210130303-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
US-8476256-B2 Diazonamide analogs JOYANT PHARMACEUTICALS, INC. (US) 2013-07-02 US disclosed
US-20120196907-A1 Diazonamide Analogs BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2012-08-02 US disclosed
US-20120196907-A1 Diazonamide Analogs BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2012-08-02 US disclosed
US-8153619-B2 Diazonamide analogs JOYANT PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20100022607-A1 DIAZONAMIDE ANALOGS JOYANT PHARMACEUTICALS, INC. 2010-01-28 US disclosed
WO-2003104200-A1 N-MERCAPTOACYL PHENYALANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-12-18 WO disclosed
US-4734367-A OPTICALLY ACTIVE INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1988-03-29 US disclosed