⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29796432 | 0.91 | — | — | |
| SCHEMBL26961376 | 0.90 | — | — | |
| SCHEMBL26961316 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL26961643 | 0.86 | — | — | |
| SCHEMBL31142921 | 0.85 | — | — | |
| SCHEMBL31142773 | 0.84 | — | — | |
| SCHEMBL26961195 | 0.83 | TP53 (0.32) | — | |
| SCHEMBL26961475 | 0.81 | — | — | |
| SCHEMBL29796451 | 0.80 | — | — | |
| SCHEMBL26961328 | 0.80 | THRB (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-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |