SCHEMBL3601883

SCHEMBL3601883

Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)CCCC(=O)N3)oc2ccccc12

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
SCHEMBL3601879 1.00
Afn-1252 SCHEMBL29378725 0.95
Afn-1252 SCHEMBL724937 0.95
Afn-1252 SCHEMBL724936 0.95
Afn-1252 SCHEMBL29603927 0.95
Afn-1252 SCHEMBL726875 0.95
Afn-1252 SCHEMBL724647 0.94
Afn-1252 SCHEMBL726107 0.94
Afn-1252 SCHEMBL726106 0.94
Afn-1252 SCHEMBL724646 0.94

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US claimed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US claimed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US claimed
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-8450307-B2 Therapeutic agents, and methods of making and using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-05-28 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP disclosed
EP-1828167-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS Affinium Pharmaceuticals, Inc. (CA) 2007-09-05 EP disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO disclosed
WO-2007053131-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-05-10 WO disclosed