Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2231528 | 0.81 | — | — | |
| Lithium Ion SCHEMBL28510832 | 0.79 | CA4 (0.38) | — | |
| Lithium Ion SCHEMBL29391351 | 0.79 | MGAM (0.32) | — | |
| Lithium Ion SCHEMBL28224973 | 0.77 | MGAM (0.31) | — | |
| Lithium Ion SCHEMBL28663971 | 0.74 | — | — | |
| Lithium Ion SCHEMBL15950087 | 0.74 | CA4 (0.47) | — | |
| Boric Acid SCHEMBL28336681 | 0.73 | MGAM (0.35) | — | |
| Boric Acid SCHEMBL31229316 | 0.73 | MGAM (0.35) | — | |
| SCHEMBL28213695 | 0.69 | OR51E2 (0.36) | — | |
| SCHEMBL15949946 | 0.69 | MGAM (0.50) | — |
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-112186252-A | Electrolyte containing lithium difluoromalonate phosphoryl imine and lithium ion battery using same | 香河昆仑化学制品有限公司 | 2021-01-05 | — | — | CN | disclosed |