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 SCHEMBL704885 | 0.87 | — | — | |
| SCHEMBL9840771 | 0.87 | — | — | |
| SCHEMBL8507432 | 0.75 | — | — | |
| Lithium Ion SCHEMBL9093723 | 0.75 | — | — | |
| Fluoride Ion SCHEMBL16043241 | 0.75 | — | — | |
| Lithium Ion SCHEMBL3899081 | 0.71 | CYP3A4 (0.33) | — | |
| Lithium Ion SCHEMBL3088539 | 0.71 | CYP3A4 (0.33) | — | |
| Lithium Ion SCHEMBL3894889 | 0.71 | CYP3A4 (0.33) | — | |
| SCHEMBL35133 | 0.71 | — | — | |
| Lithium Ion SCHEMBL1237359 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4440837-A | SULFUR COMPOUND FORMED ON SURVACE OF IRON COATING | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1984-04-03 | — | — | US | disclosed |