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 | |
|---|---|---|---|---|
| SCHEMBL20969 | 0.78 | — | — | |
| Lithium Ion SCHEMBL424 | 0.78 | — | — | |
| Lithium Ion SCHEMBL27710560 | 0.78 | — | — | |
| Lithium Ion SCHEMBL6751753 | 0.78 | — | — | |
| Lithium Ion SCHEMBL9706864 | 0.78 | — | — | |
| Lithium Ion SCHEMBL3420827 | 0.78 | — | — | |
| Lithium Ion SCHEMBL2946829 | 0.78 | — | — | |
| Lithium Ion SCHEMBL13720140 | 0.78 | — | — | |
| Lithium Ion SCHEMBL3184815 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9689033 | 0.67 | CYP3A4 (0.50) | — |
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-20110152530-A1 | METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF | MILLENNIUM PHARMACEUTICALS, INC. | 2011-06-23 | — | — | US | disclosed |
| WO-2011075602-A1 | METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-06-23 | — | — | WO | disclosed |