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 | |
|---|---|---|---|---|
| SCHEMBL1121583 | 0.94 | — | — | |
| SCHEMBL330 | 0.94 | — | — | |
| Water SCHEMBL27723119 | 0.94 | — | — | |
| Zinc Ion SCHEMBL28120057 | 0.88 | CA1 (0.36) | — | |
| SCHEMBL2171724 | 0.88 | — | — | |
| SCHEMBL23175203 | 0.88 | CA1 (0.36) | — | |
| SCHEMBL6466996 | 0.88 | — | — | |
| SCHEMBL5619594 | 0.88 | — | — | |
| SCHEMBL7664601 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3878118 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9499410-B2 | Methods and compositions for making metal oxide-graphene composites | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-11-22 | — | — | US | disclosed |
| EP-1258253-A1 | NOVEL REMEDIES WITH THE USE OF BETA3 AGONIST | Asahi Kasei Kabushiki Kaisha (JP) | 2002-11-20 | — | — | EP | disclosed |