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 | |
|---|---|---|---|---|
| SCHEMBL11308950 | 0.55 | ACHE (0.40) | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.54 | RXFP1 (0.33) | — | |
| Lithium Ion SCHEMBL1925246 | 0.52 | — | — | |
| Hexamethylbenzene SCHEMBL9419367 | 0.49 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL10952629 | 0.49 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL9577265 | 0.49 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL10609849 | 0.49 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL10952799 | 0.49 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL10608743 | 0.49 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL3853890 | 0.49 | RXFP1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0741145-B1 | Olefin polymerization catalyst and process for producing polyolefin using the same | SUMITOMO CHEMICAL CO (JP) | 1999-12-29 | — | — | EP | disclosed |
| EP-0741145-A1 | Olefin polymerization catalyst and process for producing polyolefin using the same | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-11-06 | — | — | EP | disclosed |