⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16091194 | 0.71 | — | — | |
| SCHEMBL22618734 | 0.67 | — | — | |
| SCHEMBL12521637 | 0.67 | — | — | |
| SCHEMBL15830439 | 0.67 | — | — | |
| SCHEMBL5035393 | 0.67 | — | — | |
| SCHEMBL1713306 | 0.65 | — | — | |
| SCHEMBL12448124 | 0.65 | — | — | |
| SCHEMBL3064075 | 0.65 | — | — | |
| SCHEMBL18306587 | 0.64 | — | — | |
| SCHEMBL10299493 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3931187-B1 | PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA CROP PROTECTION AG (CH) | 2023-10-18 | — | — | EP | disclosed |
| US-9670228-B2 | Benzoxazepin PI3K inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2017-06-06 | — | — | US | disclosed |
| US-20170081341-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2017-03-23 | — | — | US | disclosed |