⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11205697 | 0.80 | — | — | |
| SCHEMBL11205698 | 0.80 | — | — | |
| SCHEMBL15604533 | 0.76 | — | — | |
| SCHEMBL12572461 | 0.76 | HTR2A (0.36) | — | |
| SCHEMBL10259860 | 0.76 | — | — | |
| SCHEMBL18539115 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL22449336 | 0.73 | — | — | |
| SCHEMBL13680047 | 0.70 | — | — | |
| SCHEMBL6142418 | 0.69 | — | — | |
| SCHEMBL4565654 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |