⚠ 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 | |
|---|---|---|---|---|
| Lithium SCHEMBL29888793 | 1.00 | — | — | |
| Lithium SCHEMBL30924522 | 1.00 | — | — | |
| SCHEMBL29016 | 0.89 | — | — | |
| SCHEMBL2798309 | 0.80 | — | — | |
| Charcoal, Activated SCHEMBL7199313 | 0.80 | — | — | |
| Fluoride SCHEMBL2648816 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8386129 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL11460325 | 0.80 | — | — | |
| SCHEMBL8967414 | 0.80 | — | — | |
| SCHEMBL2798311 | 0.80 | — | — |
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-117954722-A | Method for synchronously realizing repair and surface coating of waste lithium ion battery positive electrode material regeneration | 中南大学 | 2024-04-30 | — | — | CN | disclosed |