⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31628288 | 0.84 | KDM4E (0.33) | — | |
| SCHEMBL31628007 | 0.83 | — | — | |
| SCHEMBL31628259 | 0.79 | GAA (0.33) | — | |
| SCHEMBL31375516 | 0.79 | GAA (0.33) | — | |
| SCHEMBL30830334 | 0.79 | BACE1 (0.32) | — | |
| SCHEMBL31628145 | 0.76 | HDAC6 (0.31) | — | |
| SCHEMBL30830349 | 0.76 | HDAC1 (0.30) | — | |
| SCHEMBL31628226 | 0.71 | — | — | |
| SCHEMBL30830296 | 0.68 | HSD17B10 (0.42) | — | |
| SCHEMBL31628162 | 0.67 | HTT (0.39) | — |
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 |