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 | |
|---|---|---|---|---|
| SCHEMBL1079512 | 0.97 | — | — | |
| SCHEMBL11851591 | 0.94 | — | — | |
| SCHEMBL15669782 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL4627112 | 0.90 | — | — | |
| Bromide SCHEMBL9114116 | 0.90 | — | — | |
| SCHEMBL11853665 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL9114403 | 0.81 | — | — | |
| Bromide SCHEMBL9113001 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL9113756 | 0.79 | TSHR (0.47) | — | |
| SCHEMBL468634 | 0.78 | ADRB2 (0.45) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-62230745-A | — | — | None | — | — | JP | disclosed |
| US-5770575-A | Nipecotic acid derivatives as antithrombotic compounds | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-06-23 | — | — | US | disclosed |
| EP-0746545-A1 | NIPECOTIC ACID DERIVATIVES AS ANTITHROMBIC COMPOUNDS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995025091-A2 | NIPECOTIC ACID DERIVATIVES AS ANTITHROMBIC COMPOUNDS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1995-09-21 | — | — | WO | disclosed |
| JP-S62230745-A | PRODUCTION OF 2-HYDROXYMETHYL-2,5,12-TRIHYDROXY-1,2,3,4-TETRAHYDRONAPHTHACENE-6,11-DIONE | SAGAMI CHEM RES CENTER | 1987-10-09 | — | — | JP | disclosed |