SCHEMBL1253371

SCHEMBL1253371

CC(C)(C)OC(=O)C=Cc1cnc2c(c1)CCC(=O)N2

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
SCHEMBL29799920 1.00
SCHEMBL1092656 1.00
SCHEMBL12315223 1.00
SCHEMBL1093387 0.93
SCHEMBL13519223 0.88
SCHEMBL13519224 0.88
SCHEMBL16941416 0.87
SCHEMBL1254837 0.86
SCHEMBL1093140 0.86
SCHEMBL4095661 0.85

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-9862737-B2 Salts, prodrugs and polymorphs of fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2018-01-09 US disclosed
US-20140309191-A1 SALTS, PRODRUGS AND POLYMORPHS OF FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-10-16 US disclosed
EP-1575951-B1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY DEBIOPHARM INT SA (CH) 2014-06-25 EP disclosed
US-20130150400-A1 SALTS, PRODRUGS AND POLYMORPHS OF FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-06-13 US disclosed
US-8263613-B2 Salts, prodrugs and polymorphs of fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-09-11 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy BERMAN JUDD 2011-05-26 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-7790709-B2 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 US disclosed
EP-2125802-A1 SALTS, PRODRUGS AND POLYMORPHS OF FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2009-12-02 EP disclosed
US-20090042927-A1 Salts, Prodrugs and Polymorphs of Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2009-02-12 US disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed
WO-2008098374-A1 SALTS, PRODRUGS AND POLYMORPHS OF FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2008-08-21 WO disclosed
US-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-08-17 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed