⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30767371 | 1.00 | — | — | |
| SCHEMBL30767379 | 1.00 | — | — | |
| SCHEMBL30767533 | 1.00 | — | — | |
| SCHEMBL29796225 | 0.88 | — | — | |
| SCHEMBL26963091 | 0.88 | — | — | |
| SCHEMBL30767561 | 0.87 | HDAC6 (0.38) | — | |
| SCHEMBL30767311 | 0.87 | — | — | |
| SCHEMBL30767336 | 0.87 | HDAC6 (0.38) | — | |
| SCHEMBL30767416 | 0.87 | HDAC6 (0.38) | — | |
| SCHEMBL30767310 | 0.87 | HDAC6 (0.38) | — |
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-4568960-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2025-06-18 | — | — | EP | disclosed |
| WO-2024033458-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2024-02-15 | — | — | WO | disclosed |