⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6533489 | 0.93 | — | — | |
| SCHEMBL6099723 | 0.73 | — | — | |
| SCHEMBL9059876 | 0.69 | — | — | |
| SCHEMBL9059148 | 0.65 | POLB (0.43) | — | |
| SCHEMBL1489209 | 0.64 | — | — | |
| SCHEMBL88222 | 0.64 | — | — | |
| SCHEMBL28479596 | 0.64 | CYP3A4 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL8854910 | 0.62 | — | — | |
| SCHEMBL486492 | 0.62 | — | — | |
| SCHEMBL1081392 | 0.62 | HRH3 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1996578-A1 | HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES | Novartis AG (CH) | 2008-12-03 | — | — | EP | disclosed |
| WO-2008009487-A1 | HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES | NOVARTIS AG (CH) | 2008-01-24 | — | — | WO | disclosed |