⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14781255 | 0.81 | — | — | |
| SCHEMBL20058530 | 0.79 | — | — | |
| SCHEMBL19304221 | 0.79 | — | — | |
| SCHEMBL25891781 | 0.74 | — | — | |
| SCHEMBL14609749 | 0.69 | — | — | |
| SCHEMBL3505953 | 0.69 | — | — | |
| SCHEMBL15910248 | 0.68 | — | — | |
| Iodide SCHEMBL28087743 | 0.67 | LMNA (0.31) | — | |
| SCHEMBL20708151 | 0.67 | — | — | |
| SCHEMBL16809381 | 0.66 | NPC1 (0.32) | — |
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-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |