⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30830368 | 0.85 | HDAC1 (0.33) | — | |
| SCHEMBL31628162 | 0.82 | HTT (0.39) | — | |
| SCHEMBL31628285 | 0.79 | — | — | |
| SCHEMBL31628212 | 0.77 | NOX1 (0.35) | — | |
| SCHEMBL31628151 | 0.76 | — | — | |
| SCHEMBL31628087 | 0.75 | F11 (0.31) | — | |
| SCHEMBL30830296 | 0.73 | HSD17B10 (0.42) | — | |
| SCHEMBL31628245 | 0.71 | PLAT (0.32) | — | |
| SCHEMBL31628203 | 0.70 | HDAC1 (0.37) | — | |
| SCHEMBL31628226 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4568958-A1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2025-06-18 | — | — | EP | disclosed |
| EP-4568959-A1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2025-06-18 | — | — | EP | disclosed |
| WO-2024033388-A1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2024-02-15 | — | — | WO | disclosed |