SCHEMBL1106444

SCHEMBL1106444

CN(C)C(=O)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
SCHEMBL16944043 0.81 ALDH1A1 (0.39)
SCHEMBL19091449 0.81 MEN1 (0.34)
SCHEMBL3280248 0.79
SCHEMBL635332 0.79
SCHEMBL4071999 0.79
SCHEMBL7438406 0.76
SCHEMBL1048076 0.76
SCHEMBL2745822 0.76
SCHEMBL13072431 0.76
SCHEMBL10903390 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011016863-A2 METHODS AND USES OF CYTOCHROME P450 INHIBITORS ANGION BIOMEDICA CORP. (US) 2011-02-10 WO claimed
US-7879852-B2 such as (4S)-1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-yl]carbonyl}-4-[(4,4-dimethylcyclohexyl)(2,2-dimethylpropanoyl)amino]-N,N-dimethyl-L-prolineamide, used for the treatment of obesity, diabetes, inflammation and erectile dysfunction LG LIFE SCIENCES LTD. (KR) 2011-02-01 US claimed
US-20090298829-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2009-12-03 US claimed
WO-2008007930-A9 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2009-04-02 WO claimed
EP-2041120-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2009-04-01 EP claimed
WO-2008007930-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2008-01-17 WO claimed
US-5777105-A Process for the preparation of imidazolyl macrolide immunosuppressants MERCK & CO., INC. (US) 1998-07-07 US claimed
EP-0848717-A1 PROCESS FOR THE PREPARATION OF IMIDAZOLYL MACROLIDE IMMUNOSUPPRESSANTS Merck & Co., Inc. (US) 1998-06-24 EP claimed
WO-1997008182-A1 PROCESS FOR THE PREPARATION OF IMIDAZOLYL MACROLIDE IMMUNOSUPPRESSANTS MERCK & CO., INC. (US) 1997-03-06 WO claimed
JP-11271306-A None JP disclosed
US-20240368073-A1 AMINE-BORANES AS BIFUNCTIONAL REAGENTS FOR DIRECT AMIDATION OF CARBOXYLIC ACIDS PURDUE RESEARCH FOUNDATION (US) 2024-11-07 US disclosed
US-12071393-B2 Amine-boranes as bifunctional reagents for direct amidation of carboxylic acids PURDUE RESEARCH FOUNDATION (US) 2024-08-27 US disclosed
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-4325836-A Novel titanium halide containing catalyst STAUFFER CHEMICAL COMPANY (US) 1982-04-20 US disclosed
EP-0044445-A2 Titanium halide containing catalyst STAUFFER CHEMICAL COMPANY (US) 1982-01-27 EP disclosed
US-4312782-A COORDINATION CATALYST FOR POLYMERIZATION OF ALPHA OLEFINS STAUFFER CHEMICAL COMPANY (US) 1982-01-26 US disclosed
EP-0043185-A1 Method for production of titanium halide catalyst component, catalyst system including such component, and polymerization of alpha-olefins using such system STAUFFER CHEMICAL COMPANY (US) 1982-01-06 EP disclosed
EP-0040711-A1 Titanium halide catalyst for polymerization STAUFFER CHEMICAL COMPANY (US) 1981-12-02 EP disclosed
US-4141992-A Cycloalkylcarboxyamidines and halobenzamidines as anti-amebic agents AMERICAN CYANAMID COMPANY (US) 1979-02-27 US disclosed