⚠ 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 | |
|---|---|---|---|---|
| Magnesium SCHEMBL31318342 | 0.89 | — | — | |
| Magnesium SCHEMBL29408718 | 0.89 | — | — | |
| Magnesium SCHEMBL31174390 | 0.89 | — | — | |
| Barium SCHEMBL31174392 | 0.89 | — | — | |
| Magnesium SCHEMBL30883285 | 0.89 | — | — | |
| SCHEMBL30502992 | 0.87 | — | — | |
| Magnesium SCHEMBL29913720 | 0.87 | — | — | |
| Magnesium SCHEMBL31127518 | 0.87 | — | — | |
| SCHEMBL181038 | 0.87 | — | — | |
| SCHEMBL20473039 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117878324-A | Oxide positive electrode material for gradient doped sodium ion battery and preparation method thereof | 贵州大龙汇成新材料有限公司 | 2024-04-12 | — | — | CN | disclosed |