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 SCHEMBL8749265 | 0.72 | FBP1 (0.38) | — | |
| Lithium Ion SCHEMBL8749310 | 0.69 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL27480186 | 0.60 | GRM5 (0.38) | — | |
| 2-Thiophenecarbonitrile SCHEMBL12605 | 0.60 | — | — | |
| SCHEMBL2558154 | 0.59 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL9333294 | 0.59 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL31190197 | 0.59 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL3974338 | 0.59 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL9816860 | 0.59 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL30569535 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0362816-B1 | Cyclopenteneheptanoic acid derivatives and method of preparation thereof | SEARLE & CO (US) | 1993-11-18 | — | — | EP | disclosed |
| US-4952710-A | STARTING MATERIAL FOR OPTICALLY ACTIVE PROSTAGLANDINS | G. D. SEARLE & CO. (US) | 1990-08-28 | — | — | US | disclosed |
| EP-0362816-A1 | Cyclopenteneheptanoic acid derivatives and method of preparation thereof | G.D. Searle & Co. (US) | 1990-04-11 | — | — | EP | disclosed |