⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL544815 | 0.91 | — | — | |
| Lithium SCHEMBL4333594 | 0.83 | — | — | |
| Water SCHEMBL9445822 | 0.83 | — | — | |
| SCHEMBL8061185 | 0.83 | — | — | |
| Strontium SCHEMBL5886487 | 0.83 | — | — | |
| SCHEMBL31651505 | 0.83 | — | — | |
| Calcium SCHEMBL8667267 | 0.83 | — | — | |
| SCHEMBL8627358 | 0.83 | — | — | |
| SCHEMBL45345 | 0.82 | — | — | |
| Calcium SCHEMBL8630626 | 0.77 | — | — |
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-116180155-A | Method for reducing potassium content in aluminum electrolyte | 中铝郑州有色金属研究院有限公司 | 2023-05-30 | — | — | CN | disclosed |