⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11059394 | 1.00 | — | — | |
| SCHEMBL11056959 | 0.83 | — | — | |
| SCHEMBL31349316 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL11059369 | 0.78 | — | — | |
| SCHEMBL11059367 | 0.78 | — | — | |
| SCHEMBL11051506 | 0.72 | — | — | |
| SCHEMBL11057616 | 0.72 | — | — | |
| SCHEMBL11057617 | 0.72 | — | — | |
| SCHEMBL11051503 | 0.72 | — | — | |
| SCHEMBL11050268 | 0.71 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4487781-A | HEAT RESISTANCE; PHOTOSTABILITY | SANKYO COMPANY LIMITED (JP) | 1984-12-11 | — | — | US | disclosed |