⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8150884 | 0.78 | APOBEC3G (0.39) | — | |
| SCHEMBL11152568 | 0.78 | — | — | |
| SCHEMBL3982856 | 0.78 | — | — | |
| SCHEMBL31262371 | 0.77 | GAA (0.44) | — | |
| SCHEMBL11150455 | 0.77 | GAA (0.44) | — | |
| SCHEMBL36019 | 0.77 | CYP3A4 (0.53) | — | |
| SCHEMBL29373097 | 0.77 | CYP3A4 (0.53) | — | |
| SCHEMBL234864 | 0.77 | CYP3A4 (0.53) | — | |
| SCHEMBL1759362 | 0.74 | CYP3A4 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL9517239 | 0.74 | CYP3A4 (0.50) | — |
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-7417063-B2 | Bicyclic heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-08-26 | — | — | US | disclosed |