⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17495240 | 0.74 | TDP1 (0.40) | — | |
| SCHEMBL76419 | 0.74 | CD274 (0.34) | — | |
| SCHEMBL76420 | 0.74 | CD274 (0.32) | — | |
| SCHEMBL27732541 | 0.64 | — | — | |
| SCHEMBL423290 | 0.64 | — | — | |
| SCHEMBL17316655 | 0.64 | — | — | |
| SCHEMBL5546848 | 0.64 | CA1 (0.35) | — | |
| SCHEMBL13952788 | 0.64 | TDP1 (0.32) | — | |
| SCHEMBL3815261 | 0.62 | ALDH1A1 (0.43) | — | |
| SCHEMBL8781985 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0428437-B1 | 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1994-08-17 | — | — | EP | disclosed |
| EP-0428437-A1 | 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1991-05-22 | — | — | EP | disclosed |