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 SCHEMBL29445506 | 0.82 | — | — | |
| Lithium Ion SCHEMBL28778 | 0.82 | — | — | |
| SCHEMBL60791 | 0.82 | — | — | |
| SCHEMBL4313716 | 0.82 | — | — | |
| Lithium Ion SCHEMBL23780277 | 0.67 | — | — | |
| Lithium Ion SCHEMBL27463 | 0.67 | — | — | |
| Lithium Ion SCHEMBL918165 | 0.67 | — | — | |
| Lithium Ion SCHEMBL21541938 | 0.67 | — | — | |
| Potassium Ion SCHEMBL1592727 | 0.67 | — | — | |
| Lithium Ion SCHEMBL16616656 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | claimed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | claimed |