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 | |
|---|---|---|---|---|
| SCHEMBL125337 | 0.91 | — | — | |
| SCHEMBL9518084 | 0.91 | ALDH1A1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL19874815 | 0.87 | — | — | |
| SCHEMBL10752450 | 0.87 | — | — | |
| Methyl Alcohol SCHEMBL4182875 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL19287877 | 0.73 | — | — | |
| Lithium Ion SCHEMBL3437769 | 0.71 | — | — | |
| SCHEMBL11297518 | 0.70 | — | — | |
| SCHEMBL25764633 | 0.70 | — | — | |
| SCHEMBL15486222 | 0.68 | — | — |
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-1926703-A | Polymerizable composition for bonding and sealing low surface energy substrates for fuel cells | HENKEL CORP (US) | 2007-03-07 | — | — | CN | disclosed |