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 SCHEMBL7085995 | 0.80 | — | — | |
| Lithium Ion SCHEMBL8799210 | 0.78 | — | — | |
| SCHEMBL28674212 | 0.78 | — | — | |
| SCHEMBL28038956 | 0.78 | — | — | |
| SCHEMBL3842552 | 0.78 | — | — | |
| Lithium Ion SCHEMBL3287244 | 0.78 | — | — | |
| Lithium Ion SCHEMBL7397104 | 0.67 | — | — | |
| Lithium Ion SCHEMBL5537470 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL2582276 | 0.67 | — | — | |
| Lithium Ion SCHEMBL11884117 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110295038-A1 | Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds | GRUENENTHAL GMBH (DE) | 2011-12-01 | — | — | US | claimed |
| WO-2011147576-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS | Grünenthal GmbH (DE) | 2011-12-01 | — | — | WO | claimed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |