⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL5029079 | 0.94 | — | — | |
| SCHEMBL545045 | 0.93 | — | — | |
| SCHEMBL29161667 | 0.93 | — | — | |
| SCHEMBL14657010 | 0.93 | — | — | |
| SCHEMBL3368557 | 0.88 | — | — | |
| Water SCHEMBL913669 | 0.88 | — | — | |
| SCHEMBL23201317 | 0.86 | — | — | |
| SCHEMBL2185695 | 0.86 | — | — | |
| SCHEMBL314838 | 0.86 | — | — | |
| SCHEMBL7156870 | 0.86 | — | — |
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-109860533-B | Composite core-shell structure magnesium ion battery positive electrode material and preparation method and application thereof | 廊坊绿色工业技术服务中心 | 2022-03-29 | — | — | CN | disclosed |