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 | |
|---|---|---|---|---|
| SCHEMBL27408056 | 0.91 | — | — | |
| SCHEMBL35296 | 0.74 | — | — | |
| Dimethylformamide SCHEMBL27327299 | 0.72 | — | — | |
| SCHEMBL1449702 | 0.70 | CA1 (0.33) | — | |
| Ethane SCHEMBL3979179 | 0.68 | — | — | |
| SCHEMBL16758783 | 0.68 | — | — | |
| Water SCHEMBL27372307 | 0.68 | — | — | |
| Bromide SCHEMBL29586269 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL21073904 | 0.68 | — | — | |
| Trimethylammonium SCHEMBL27331682 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1134414-C | Substituted oximes, hydrazones and alkenes useful as neurokinin antagonists | �й�ҽѧ��ѧԺҩ���о��� | 2004-01-14 | — | — | CN | disclosed |
| CN-1189821-A | Substituted oximes, hydrazones and olefins as neurokinin antagonists | SCHERING CORP (US) | 1998-08-05 | — | — | CN | disclosed |