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 SCHEMBL36841 | 0.84 | — | — | |
| Lithium Ion SCHEMBL3464915 | 0.84 | — | — | |
| Lithium Ion SCHEMBL27817938 | 0.84 | — | — | |
| Lithium Ion SCHEMBL136948 | 0.84 | — | — | |
| Methyl Alcohol SCHEMBL7907560 | 0.80 | TSHR (0.38) | — | |
| Methyl Alcohol SCHEMBL3839631 | 0.80 | TSHR (0.38) | — | |
| Lithium Ion SCHEMBL16506716 | 0.77 | — | — | |
| Lithium Ion SCHEMBL321943 | 0.77 | — | — | |
| Lithium Ion SCHEMBL7563428 | 0.77 | — | — | |
| Lithium Ion SCHEMBL5487926 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6441216-B1 | CHEMICAL INTERMEDIATES; ELECTROLYTES | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2002-08-27 | — | — | US | claimed |
| US-20120276445-A1 | PURE FORMS OF LITHIUM BORATE SALTS AND THE PROCESS PRODUCING SUCH FORMS | U.S. GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2012-11-01 | — | — | US | disclosed |
| US-6815119-B2 | FOR USE IN ELECTROLYTES, BATTERIES, CAPACITORS, SUPERCAPACITORS, GALVANIC CELLS | MERCK PATENT GMBH (DE) | 2004-11-09 | — | — | US | disclosed |
| US-6794083-B2 | FOR USE IN ELECTROLYTES, BATTERIES, CAPACITORS, SUPERCAPACITORS AND GALVANIC CELLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 2004-09-21 | — | — | US | disclosed |
| US-20020114996-A1 | For use in electrolytes, batteries, capacitors, supercapacitors and galvanic cells | MERCK GMBH (DE) | 2002-08-22 | — | — | US | disclosed |
| US-20020090547-A1 | For use in electrolytes, batteries, capacitors, supercapacitors, galvanic cells | MERCK PATENT GMBH (DE) | 2002-07-11 | — | — | US | disclosed |