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 | |
|---|---|---|---|---|
| SCHEMBL11224758 | 0.94 | — | — | |
| Lithium Ion SCHEMBL8573919 | 0.89 | CA1 (0.44) | — | |
| SCHEMBL8571575 | 0.86 | — | — | |
| SCHEMBL29039269 | 0.83 | CA1 (0.50) | — | |
| Adipic Acid SCHEMBL105603 | 0.81 | CA1 (0.58) | — | |
| Glutarate SCHEMBL106537 | 0.81 | CA1 (0.58) | — | |
| Lithium Ion SCHEMBL11431855 | 0.78 | CA1 (0.55) | — | |
| Adipic Acid SCHEMBL105951 | 0.78 | CA1 (0.55) | — | |
| Glutarate SCHEMBL107713 | 0.78 | CA1 (0.55) | — | |
| Sebacic Acid SCHEMBL1938485 | 0.78 | CA1 (0.55) | — |
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-5843951-A | Analgesic composition of pyrazolo(1,5-A) pyrimidines | OTSUKA PHARMACEUTICAL FACTORY INC. (JP) | 1998-12-01 | — | — | US | disclosed |
| EP-0795555-A1 | ANALGESICS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1997-09-17 | — | — | EP | disclosed |