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 | |
|---|---|---|---|---|
| Bromide SCHEMBL2818240 | 0.88 | — | — | |
| SCHEMBL9847825 | 0.88 | — | — | |
| SCHEMBL1319 | 0.87 | — | — | |
| SCHEMBL15658212 | 0.87 | ALDH1A1 (1.00) | — | |
| SCHEMBL9419675 | 0.80 | — | — | |
| SCHEMBL9407011 | 0.80 | ALDH1A1 (0.86) | — | |
| Water SCHEMBL8878056 | 0.80 | ALDH1A1 (0.86) | — | |
| Hydrochloric Acid SCHEMBL7512029 | 0.80 | — | — | |
| SCHEMBL9357181 | 0.80 | ALDH1A1 (0.86) | — | |
| SCHEMBL8715381 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6800764-B2 | PREPARING CHIRALLY PURE S-ENANTIOMERS OF ALPHA -AMINO ACIDS COMPRISING THE STEPS OF: A) PREPARING AN ORGANOMETALLIC REAGENT FROM AN ALKYL HALIDE OF THE FORMULA (R) 2CH(CH2)NCH2X; B) ADDING THE ORGANOMETALLIC REAGENT TO CARBON DIOXIDE TO FORM | WYETH | 2004-10-05 | — | — | US | disclosed |
| US-20030144531-A1 | Process for the synthesis of chirally pure beta-amino-alcohols | WYETH (US) | 2003-07-31 | — | — | US | disclosed |