⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2278068 | 1.00 | — | — | |
| SCHEMBL725905 | 0.87 | — | — | |
| SCHEMBL726954 | 0.87 | — | — | |
| SCHEMBL726658 | 0.87 | IMPDH2 (0.38) | — | |
| SCHEMBL725942 | 0.86 | — | — | |
| SCHEMBL725941 | 0.86 | — | — | |
| SCHEMBL1254010 | 0.84 | — | — | |
| SCHEMBL1254014 | 0.84 | — | — | |
| SCHEMBL726726 | 0.83 | ALOX5 (0.39) | — | |
| SCHEMBL4104643 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7790716-B2 | fatty acid biosynthesis inhibitors such as E)-3-(6-aminopyridin-3-yl)-N-methyl-N-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)acrylamide, used fro the treatment of bacterial infections; antibiotics | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2010-09-07 | — | — | US | disclosed |
| US-20090275572-A1 | FAB I INHIBITORS | AFFINIUM PHARMACEUTICALS, INC. | 2009-11-05 | — | — | US | disclosed |