⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6437208 | 0.81 | — | — | |
| SCHEMBL28018625 | 0.77 | — | — | |
| SCHEMBL6432723 | 0.75 | — | — | |
| SCHEMBL5504615 | 0.71 | — | — | |
| SCHEMBL6014014 | 0.67 | — | — | |
| SCHEMBL27629711 | 0.67 | — | — | |
| SCHEMBL28395504 | 0.67 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL10495276 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL9668836 | 0.65 | — | — | |
| SCHEMBL6376274 | 0.65 | — | — |
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-0048696-A2 | Tin compounds | CIBA-GEIGY AG (CH) | 1982-03-31 | — | — | EP | claimed |