⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31628151 | 0.90 | — | — | |
| SCHEMBL30830368 | 0.85 | HDAC1 (0.33) | — | |
| SCHEMBL31628254 | 0.83 | HDAC1 (0.40) | — | |
| SCHEMBL27125391 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL26962775 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL30830338 | 0.79 | — | — | |
| SCHEMBL29796749 | 0.79 | GAA (0.36) | — | |
| SCHEMBL26961757 | 0.79 | GAA (0.36) | — | |
| SCHEMBL31628262 | 0.74 | HDAC1 (0.37) | — | |
| SCHEMBL30830352 | 0.74 | HDAC1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4568959-A1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2025-06-18 | — | — | EP | disclosed |