SCHEMBL64125

SCHEMBL64125

CCC(=O)C(C)(C)N

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
Hydrochloric Acid SCHEMBL28343101 0.97
SCHEMBL28543740 0.78 ALDH1A1 (0.39)
Hydrochloric Acid SCHEMBL15468111 0.77
SCHEMBL24114391 0.77
SCHEMBL12860094 0.77
SCHEMBL9642490 0.75
SCHEMBL18598954 0.75
SCHEMBL22249000 0.75
SCHEMBL16568656 0.75 FFAR3 (0.38)
SCHEMBL2545646 0.73 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931082-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 1999-11-17 EP claimed
EP-0931082-A1 NODULISPORIC ACID DERIVATIVES Merck &amp; Co., Inc. (a New Jersey corp.) (US) 1999-07-28 EP claimed
WO-1998012196-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1998-03-26 WO claimed
CN-116577403-A Separation detection method and application of exosomes 复旦大学附属中山医院 2023-08-11 CN disclosed
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
US-20170152279-A9 Saccharide Dendritic Cluster Compounds as Inhibitors of Bace-1 UNIVERSITY OF LIVERPOOL (GB) 2017-06-01 US disclosed
US-20170101454-A1 GLP-1/Glucagon Receptor Co-Agonists for Medical Use NOVO NORDISK A/S (DK) 2017-04-13 US disclosed
EP-2513141-B1 GLP-1 ANALOGUES AND DERIVATIVES NOVO NORDISK AS (DK) 2017-03-01 EP disclosed
EP-2392561-B1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-14 EP disclosed
WO-2006097537-A2 ACYLATED GLP-1 COMPOUNDS NOVO NORDISK A/S (DK) 2006-09-21 WO disclosed
WO-2006089275-A2 METHODS OF MAKING PHARMACOKINETICALLY IMPROVED COMPOUNDS COMPRISING FUNCTIONAL RESIDUES OR GROUPS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS SURFACE LOGIX, INC. (US) 2006-08-24 WO disclosed
WO-2006037810-A2 PROTRACTED GLP-1 COMPOUNDS NOVO NORDISK A/S (DK) 2006-04-13 WO disclosed
EP-1534658-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene, Inc. (US) 2005-06-01 EP disclosed
US-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex RHEOGENE, INC. 2004-03-11 US disclosed
WO-2004005478-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC (US) 2004-01-15 WO disclosed
EP-0931082-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2003-03-19 EP disclosed
US-6221894-B1 ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS. MERCK & CO., INC. 2001-04-24 US disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed