⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4788913 | 0.76 | — | — | |
| SCHEMBL12370560 | 0.67 | — | — | |
| SCHEMBL11484799 | 0.62 | — | — | |
| SCHEMBL16485585 | 0.62 | — | — | |
| SCHEMBL13576830 | 0.62 | — | — | |
| SCHEMBL5653901 | 0.57 | — | — | |
| SCHEMBL8632628 | 0.57 | — | — | |
| SCHEMBL17012093 | 0.55 | — | — | |
| SCHEMBL14781231 | 0.55 | — | — | |
| SCHEMBL15243215 | 0.54 | ESR2 (0.33) | — |
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-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |