⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23192521 | 0.75 | — | — | |
| SCHEMBL12597887 | 0.72 | — | — | |
| SCHEMBL10433083 | 0.72 | — | — | |
| SCHEMBL13595177 | 0.72 | — | — | |
| SCHEMBL10139309 | 0.72 | — | — | |
| SCHEMBL13811273 | 0.71 | — | — | |
| SCHEMBL1783534 | 0.70 | — | — | |
| SCHEMBL12921947 | 0.67 | — | — | |
| SCHEMBL10629753 | 0.67 | — | — | |
| SCHEMBL12921949 | 0.67 | — | — |
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-0728742-B1 | Novel retinoids | HOFFMANN LA ROCHE (CH) | 1999-10-20 | — | — | EP | disclosed |