⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9231279 | 0.81 | — | — | |
| SCHEMBL9976307 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL6879887 | 0.72 | LMNA (0.40) | — | |
| SCHEMBL5482338 | 0.72 | LMNA (0.40) | — | |
| SCHEMBL5356462 | 0.72 | LMNA (0.40) | — | |
| SCHEMBL12917637 | 0.70 | LMNA (0.43) | — | |
| SCHEMBL9009185 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL8596835 | 0.68 | HSD17B10 (0.31) | — | |
| SCHEMBL22661219 | 0.68 | LMNA (0.34) | — | |
| SCHEMBL8906457 | 0.68 | — | — |
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-4352788-A | ARTERIES | BRACCO INDUSTRIA CHIMICA S.P.A. (IT) | 1982-10-05 | — | — | US | disclosed |