⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18927435 | 0.71 | — | — | |
| SCHEMBL23719155 | 0.69 | — | — | |
| SCHEMBL16130322 | 0.60 | — | — | |
| SCHEMBL2633016 | 0.56 | — | — | |
| SCHEMBL109960 | 0.56 | TSHR (0.41) | — | |
| Acetic Acid SCHEMBL11622632 | 0.56 | FFAR3 (0.47) | — | |
| SCHEMBL6992690 | 0.54 | — | — | |
| SCHEMBL10308369 | 0.54 | TSHR (0.42) | — | |
| SCHEMBL107888 | 0.54 | — | — | |
| SCHEMBL10308365 | 0.54 | TSHR (0.42) | — |
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 |