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 SCHEMBL5963592 | 1.00 | ALDH1A1 (0.31) | — | |
| Lithium Ion SCHEMBL5676964 | 0.94 | ALDH1A1 (0.30) | — | |
| Lithium Ion SCHEMBL27531913 | 0.88 | ALDH1A1 (0.33) | — | |
| Lithium Ion SCHEMBL1248330 | 0.88 | ALDH1A1 (0.33) | — | |
| Lithium Ion SCHEMBL74921 | 0.88 | — | — | |
| SCHEMBL27502661 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL242908 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL27287 | 0.88 | ALDH1A1 (0.33) | — | |
| Lithium Ion SCHEMBL4664489 | 0.82 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1228558 | 0.82 | — | — |
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-105985303-A | Preparation method of anticoagulant, intermediate, and preparation method of intermediate | 上海彩迩文生化科技有限公司 | 2016-10-05 | — | — | CN | disclosed |