⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31628203 | 0.81 | HDAC1 (0.37) | — | |
| SCHEMBL31628240 | 0.80 | BDKRB1 (0.35) | — | |
| SCHEMBL31375592 | 0.80 | BDKRB1 (0.35) | — | |
| SCHEMBL30830331 | 0.79 | HDAC1 (0.36) | — | |
| SCHEMBL31628087 | 0.77 | F11 (0.31) | — | |
| SCHEMBL31628245 | 0.73 | PLAT (0.32) | — | |
| SCHEMBL31628017 | 0.71 | — | — | |
| SCHEMBL30830306 | 0.70 | — | — | |
| SCHEMBL30830338 | 0.68 | — | — | |
| SCHEMBL30830368 | 0.67 | HDAC1 (0.33) | — |
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 |