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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL30576673 | 0.87 | — | — | |
| Lithium Ion SCHEMBL1961 | 0.87 | — | — | |
| Potassium Ion SCHEMBL4999362 | 0.82 | — | — | |
| Lithium Ion SCHEMBL6829441 | 0.82 | — | — | |
| Lithium Ion SCHEMBL4999640 | 0.82 | — | — | |
| Lithium Ion SCHEMBL6354843 | 0.82 | — | — | |
| Lithium Ion SCHEMBL8602755 | 0.82 | — | — | |
| Iodomethane SCHEMBL7699034 | 0.78 | ALDH1A1 (0.31) | — | |
| Lithium Ion SCHEMBL11053322 | 0.78 | — | — | |
| SCHEMBL6803448 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0401167-B1 | Process for the preparation of titanocenes with o,o'-difluoro ligands | CIBA GEIGY AG (CH) | 1994-06-08 | — | — | EP | disclosed |