SCHEMBL637589

SCHEMBL637589

CC(=O)C(C)CN

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
SCHEMBL15791178 1.00
SCHEMBL14499149 1.00
Bromide SCHEMBL6978944 0.97
Hydrochloric Acid SCHEMBL6818866 0.97
SCHEMBL456709 0.78
SCHEMBL565484 0.78
SCHEMBL21114361 0.78 GABRR1 (0.65)
SCHEMBL2191 0.78
SCHEMBL24915285 0.77
SCHEMBL25003459 0.76 GABRR1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421232-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2025-09-23 US disclosed
EP-3768267-B1 BETA-CARBOLINE DERIVATIVES AS DYRK1A INHIBITORS FOR THE TREATMENT OF E.G. DIABETES ICAHN SCHOOL MED MOUNT SINAI (US) 2025-05-14 EP disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-20240132494-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-04-25 US disclosed
US-11866427-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2024-01-09 US disclosed
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 US disclosed
US-20180154018-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2018-06-07 US disclosed
US-20160137785-A1 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-05-19 US disclosed
US-9193827-B2 Poly(beta-amino alcohols), their preparation, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-11-24 US disclosed
EP-2686325-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2014-01-22 EP disclosed
US-8088757-B2 Betulinol derivatives as anti-cancer agents BIORINGS LLC (US) 2012-01-03 US disclosed
US-20110237658-A1 COMPOUND AND METHOD FOR THE TREATMENT OF PAIN KRISHANI BIOSCIENCES (P) LTD (IN) 2011-09-29 US disclosed
US-20100304430-A1 Methods for Generating Analogs of Coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-7727738-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-01 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-7585875-B2 Substituted pyrazolo[1,5-a]pyridine compounds and their methods of use AVIGEN, INC. (US) 2009-09-08 US disclosed
US-20090176753-A1 Betulinol derivatives as anti-cancer agents SAXENA RESEARCH, LLC 2009-07-09 US disclosed
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents SAXENA RESEARCH, LLC 2008-11-20 US disclosed
US-20070128683-A1 Metabolic delivery of coenzyme A analogs NATIONAL SCIENCE FOUNDATION 2007-06-07 US disclosed
US-4517004-A Aryl phosphoric triamide and aryl phosphorodiamidate urease and nitrification inhibitors and urease and nitrification inhibited urea and reduced nitrogen based fertilizer compositions ALLIED CORPORATION (US) 1985-05-14 US disclosed