⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5950016 | 1.00 | — | — | |
| SCHEMBL1253887 | 0.92 | — | — | |
| SCHEMBL1253882 | 0.92 | — | — | |
| SCHEMBL10266873 | 0.80 | — | — | |
| SCHEMBL1254061 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL1254065 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1254058 | 0.79 | — | — | |
| SCHEMBL1254018 | 0.78 | — | — | |
| SCHEMBL1254009 | 0.78 | — | — | |
| SCHEMBL5950011 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |