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 SCHEMBL28252632 | 0.82 | — | — | |
| Lithium Ion SCHEMBL1906 | 0.82 | — | — | |
| Lithium Ion SCHEMBL4681975 | 0.82 | — | — | |
| Lithium Ion SCHEMBL1920748 | 0.82 | — | — | |
| Lithium Ion SCHEMBL2942726 | 0.82 | CYP3A4 (0.33) | — | |
| Iodide SCHEMBL23670748 | 0.67 | — | — | |
| Lithium Ion SCHEMBL1336065 | 0.67 | — | — | |
| Lithium Ion SCHEMBL16615990 | 0.67 | — | — | |
| Lithium Ion SCHEMBL14762041 | 0.67 | — | — | |
| Lithium Ion SCHEMBL549062 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4048087-A | Crystallizing solution and method of preparation thereof | THE DOW CHEMICAL COMPANY (US) | 1977-09-13 | — | — | US | claimed |
| US-20110236729-A1 | HYDROGEN CELLS OR MICROCELLS WITH A HYDROGEN GENERATOR | ROUSTAEI ALEX HR | 2011-09-29 | — | — | US | disclosed |
| US-4048087-A | Crystallizing solution and method of preparation thereof | THE DOW CHEMICAL COMPANY (US) | 1977-09-13 | — | — | US | disclosed |