SCHEMBL4682863

SCHEMBL4682863

CC(C)(C)C(=O)CI

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
SCHEMBL23187 0.76
SCHEMBL408846 0.73
SCHEMBL93393 0.72 KMT2A (0.39)
SCHEMBL755487 0.72 KMT2A (0.39)
SCHEMBL4837194 0.72 KMT2A (0.39)
SCHEMBL17546443 0.71
SCHEMBL2528459 0.71
SCHEMBL7574584 0.69 FAAH (0.38)
SCHEMBL6910342 0.69 KMT2A (0.37)
SCHEMBL9325238 0.69 KMT2A (0.37)

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-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-20230167150-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-20230167149-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-10844459-B2 Process for extracting and recovering tantalum present in an acid aqueous phase by means of an ionic liquid, and use of such an ionic liquid for extracting the tantalum from an acid aqueous phase CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-11-24 US disclosed
EP-3334846-B1 PROCESSES FOR EXTRACTING AND RECOVERING TANTALUM PRESENT IN AN ACID AQUEOUS PHASE BY MEANS OF AN IONIC LIQUID, AND USE OF SUCH AN IONIC LIQUID FOR EXTRACTING THE TANTALUM FROM AN ACID AQUEOUS PHASE CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
CN-111330017-A Antibody Drug Conjugates (ADC) that bind to 158P1D7 protein 艾更斯司股份有限公司 2020-06-26 CN disclosed
EP-3334846-A1 PROCESSES FOR EXTRACTING AND RECOVERING TANTALUM PRESENT IN AN ACID AQUEOUS PHASE BY MEANS OF AN IONIC LIQUID, AND USE OF SUCH AN IONIC LIQUID FOR EXTRACTING THE TANTALUM FROM AN ACID AQUEOUS PHASE Centre National De La Recherche Scientifique (FR) 2018-06-20 EP disclosed
US-9783571-B2 Isolation of cysteine containing peptides MARTIN WARHAM LANCE (US) 2017-10-10 US disclosed
US-20160274094-A1 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-09-22 US disclosed
US-20150158905-A1 Isolation of Cysteine Containing Peptides MARTIN WARHAM LANCE (US) 2015-06-11 US disclosed
US-20070117787-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-05-24 US disclosed
US-20040072819-A1 Benzoxazepine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2004-04-15 US disclosed
US-6613761-B1 (3R,5S)-N- methanesulfonyl-7-chloro-5-(2,3-dimethoxyphenyl) -1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4, 1-benzoxazepine-3-acetamide, used as antilipemic agents and enzyme inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
EP-0862562-B1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-04 EP disclosed
EP-1097928-A1 5-(2,3-Dialkoxyphenyl)-4,1-benzoxazepin-2-ones as anti-hyperlipidemics Takeda Chemical Industries, Ltd. (JP) 2001-05-09 EP disclosed
US-6110909-A SQUALENE SYNTHETASE INHIBITING ANTILIPEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-29 US disclosed
CN-1244868-A Novel carbapenem derivative MEIJI SEIKA KAISHA (JP) 2000-02-16 CN disclosed
EP-0862562-A1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP disclosed
WO-1997010224-A1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-20 WO disclosed
US-4240983-A HALOGENATION BAYER AKTIENGESELLSCHAFT (DE) 1980-12-23 US disclosed