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 | |
|---|---|---|---|---|
| SCHEMBL487378 | 0.70 | SOS1 (0.30) | — | |
| Iodide SCHEMBL1885520 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL28924970 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28491334 | 0.69 | — | — | |
| SCHEMBL27839045 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL21962017 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL29963744 | 0.68 | — | — | |
| SCHEMBL6049394 | 0.67 | — | — | |
| SCHEMBL301535 | 0.67 | — | — | |
| SCHEMBL31055748 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1874301-A4 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO INC (US) | 2009-05-06 | — | — | EP | disclosed |
| US-20090054423-A1 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | MERCK SHARP & DOHME CORP. | 2009-02-26 | — | — | US | disclosed |
| EP-1874301-A1 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006113150-A1 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2006-10-26 | — | — | WO | disclosed |