⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11967288 | 0.87 | ADRA1A (0.32) | — | |
| SCHEMBL24768960 | 0.77 | TLR9 (0.31) | — | |
| SCHEMBL12410848 | 0.75 | XDH (0.32) | — | |
| SCHEMBL24768980 | 0.74 | ACVRL1 (0.30) | — | |
| SCHEMBL24768869 | 0.73 | — | — | |
| SCHEMBL19219033 | 0.72 | ADORA2A (0.32) | — | |
| SCHEMBL24769770 | 0.69 | MAPT (0.38) | — | |
| SCHEMBL12410719 | 0.69 | — | — | |
| SCHEMBL30281146 | 0.68 | PIK3CA (0.33) | — | |
| SCHEMBL2737316 | 0.68 | MAPK1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170081341-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2017-03-23 | — | — | US | disclosed |