SCHEMBL4662945

SCHEMBL4662945

CC(C)C[C@@H](C)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
SCHEMBL2601836 1.00
SCHEMBL275848 1.00
Phosphine SCHEMBL27416822 0.97 RNPEP (0.52)
SCHEMBL20457288 0.89 RNPEP (0.46)
SCHEMBL10938417 0.87 NAALAD2 (0.56)
SCHEMBL443229 0.87 NAALAD2 (0.56)
SCHEMBL7314519 0.87 NAALAD2 (0.56)
SCHEMBL4213397 0.86 RNPEP (0.48)
Isobutanol SCHEMBL31333080 0.83 FFAR3 (0.43)
SCHEMBL27538525 0.82 NAALAD2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036286-B2 Selective drug release from internalized conjugates of biologically active compounds SEAGEN INC. (US) 2024-07-16 US disclosed
US-20240024410-A1 THREE-DIMENTIONAL SURFACE FOR PROTEIN AND SMALL MOLECULE MICROARRAYS THE JOHNS HOPKINS UNIVERSITY 2024-01-25 US disclosed
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
US-11708391-B2 Rapaglutins, novel inhibitors of GLUT and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2023-07-25 US disclosed
US-11708341-B2 Synthesis of (S)-2-amino-4-methyl-((R)-2-methyloxirane-2-yl)-pentan-1-one and pharmaceutically acceptable salts thereof AMGEN INC. 2023-07-25 US disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
US-RE49351-E1 Cytoprotective agent BIOGEN MA INC. (US) 2023-01-03 US disclosed
US-RE47684-E1 Cytoprotective agent TMS CO., LTD. (JP) 2019-11-05 US disclosed
WO-2017092977-A1 METHOD FOR SYNTHESISING ENANTIOMERICALLY PURE N-(PYRIDIN-4-YL)-2-HYDROXY-ALKYLAMIDE DERIVATIVES GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-06-08 WO disclosed
US-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them DOMPE S.P.A. 2003-11-20 US disclosed
EP-1123276-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM Dompe' S.P.A. (IT) 2001-08-16 EP disclosed
WO-2000024710-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2000-05-04 WO disclosed
EP-0981521-A2 NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-03-01 EP disclosed
CN-1202161-A Macrocyclic compounds as metalloproteinase inhibitors DU PONT MERCK PHARMA (US) 1998-12-16 CN disclosed
WO-1998051665-A2 NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-11-19 WO disclosed
EP-0863885-A2 NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-16 EP disclosed
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1997018207-A2 NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-05-22 WO disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed