⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26961855 | 1.00 | — | — | |
| SCHEMBL26961756 | 0.89 | THRB (0.32) | — | |
| SCHEMBL29796830 | 0.85 | P2RX3 (0.33) | — | |
| SCHEMBL26961909 | 0.85 | P2RX3 (0.33) | — | |
| SCHEMBL29796933 | 0.83 | SRC (0.33) | — | |
| SCHEMBL26962006 | 0.83 | SRC (0.33) | — | |
| SCHEMBL26961941 | 0.80 | FPR2 (0.30) | — | |
| SCHEMBL26962091 | 0.80 | P2RX3 (0.34) | — | |
| SCHEMBL26961847 | 0.79 | POLB (0.34) | — | |
| SCHEMBL26962041 | 0.79 | POLB (0.35) | — |
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-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |
| WO-2022171745-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2022-08-18 | — | — | WO | disclosed |