⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8637410 | 0.85 | ITGB3 (0.32) | — | |
| SCHEMBL8638609 | 0.83 | CYP1A2 (0.40) | — | |
| SCHEMBL8641204 | 0.81 | ACHE (0.38) | — | |
| SCHEMBL9166368 | 0.81 | ACHE (0.32) | — | |
| SCHEMBL9167754 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL8638777 | 0.81 | MAOA (0.38) | — | |
| SCHEMBL8656492 | 0.81 | ROCK2 (0.37) | — | |
| SCHEMBL8638962 | 0.80 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL9170026 | 0.79 | ROCK2 (0.40) | — | |
| SCHEMBL8635637 | 0.78 | ALDH1A1 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5480882-A | Benzoxazinone and benzothiazinone derivatives having cardiovascular activity | ITALFARMACO S.P.A. (IT) | 1996-01-02 | — | — | US | claimed |
| EP-0566018-B1 | Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity | ITALFARMACO SPA (IT) | 1998-08-05 | — | — | EP | disclosed |
| US-5480882-A | Benzoxazinone and benzothiazinone derivatives having cardiovascular activity | ITALFARMACO S.P.A. (IT) | 1996-01-02 | — | — | US | disclosed |
| EP-0566018-A2 | Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity | ITALFARMACO S.p.A. (IT) | 1993-10-20 | — | — | EP | disclosed |