SCHEMBL1045134

SCHEMBL1045134

C=CC(N)CC(N)=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
SCHEMBL23018178 1.00
SCHEMBL7416325 0.79
SCHEMBL3761305 0.79
SCHEMBL17234507 0.79
SCHEMBL14159545 0.78 TSHR (0.43)
Hydrochloric Acid SCHEMBL7497528 0.77
Hydrochloric Acid SCHEMBL7497539 0.77
SCHEMBL18389660 0.77
SCHEMBL10519890 0.76
SCHEMBL7397717 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150209339-A1 Hetero-Substituted Acetanilide Derivatives As Analgesic Agents JANSSEN PHARMACEUTICA, N.V. (BE) 2015-07-30 US disclosed
US-9018241-B2 Hetero-substituted acetanilide derivatives as analgesic agents JANSSEN PHARMACEUTICA, NV (BE) 2015-04-28 US disclosed
US-20130109863-A1 HETERO-SUBSTITUTED ACETANILIDE DERIVATIVES AS ANALGESIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-02 US disclosed
US-8357715-B2 Hetero-substituted acetanilide derivatives as analgesic agents JANSSEN PHARMACEUTICA, NV (BE) 2013-01-22 US disclosed
US-20120129763-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-05-24 US disclosed
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 WO disclosed
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
EP-2238102-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS Lead Therapeutics, Inc. (US) 2010-10-13 EP disclosed
US-20100204284-A1 HETERO-SUBSTITUTED ACETANILIDE DERIVATIVES AS ANALGESIC AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-12 US disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO disclosed
US-7718692-B2 or antipyretics; use of N-heterocyclecarboxylic acid, p-hydroxyphenyl amides or N-(p-hydroxyphenyl)-2-thio-group substituted acetamides; e.g. Pyrrolidine-2-carboxylic acid (p-hydroxyphenyl)-amide; substitute for aspirin in upper GI disease, aspirin allergy, bleeding disorders, clients on anticoagulants JANSSEN PHARMACEUTICA, N.V. (BE) 2010-05-18 US disclosed
WO-2009085562-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2005084663-A1 HETERO-SUBSTITUTED ACETANILIDE DERIVATES AS ANALGESIC AGENTS JANSSEN PHARMACEUTICA N.V. (US) 2005-09-15 WO disclosed
US-20050182108-A1 or antipyretics; use of N-heterocyclecarboxylic acid, p-hydroxyphenyl amides or N-(p-hydroxyphenyl)-2-thio-group substituted acetamides; e.g. Pyrrolidine-2-carboxylic acid (p-hydroxyphenyl)-amide; substitute for aspirin in upper GI disease, aspirin allergy, bleeding disorders, clients on anticoagulants JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-18 US disclosed
US-4036957-A Phenoxy compounds in combinations to suppress gastric bleeding in aspirin therapy A. H. ROBINS COMPANY, INC. (US) 1977-07-19 US disclosed
US-4036957-A Phenoxy compounds in combinations to suppress gastric bleeding in aspirin therapy A. H. ROBINS COMPANY, INC. (US) 1977-07-19 US disclosed