⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5590927 | 0.84 | — | — | |
| SCHEMBL395139 | 0.83 | — | — | |
| SCHEMBL1392220 | 0.80 | — | — | |
| SCHEMBL1392216 | 0.80 | — | — | |
| SCHEMBL1392038 | 0.75 | — | — | |
| SCHEMBL397589 | 0.75 | — | — | |
| SCHEMBL28632457 | 0.71 | — | — | |
| SCHEMBL1392303 | 0.71 | — | — | |
| SCHEMBL11007138 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL1392315 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050261264-A1 | Rare-earth ternary complex | NISSEI CHEMICALS INC. (JP) | 2005-11-24 | — | — | US | disclosed |
| EP-1318143-A1 | RARE-EARTH TERNARY COMPLEX | Yanagida, Shozo (JP) | 2003-06-11 | — | — | EP | disclosed |