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 | |
|---|---|---|---|---|
| SCHEMBL27261872 | 0.65 | — | — | |
| Lithium SCHEMBL31489997 | 0.62 | — | — | |
| SCHEMBL7227898 | 0.62 | L3MBTL1 (0.50) | — | |
| SCHEMBL16291133 | 0.62 | L3MBTL1 (0.57) | — | |
| SCHEMBL3545 | 0.62 | L3MBTL1 (0.57) | — | |
| Lithium Ion SCHEMBL9482149 | 0.61 | FBP1 (0.38) | — | |
| SCHEMBL6280818 | 0.61 | KDM4E (0.48) | — | |
| Lithium Ion SCHEMBL8749265 | 0.61 | FBP1 (0.38) | — | |
| Lithium Ion SCHEMBL8823607 | 0.61 | FBP1 (0.38) | — | |
| Fluoride SCHEMBL491501 | 0.60 | L3MBTL1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0824532-A1 | SYNTHESIS OF (S)-3-(2-THIENYLTHIO) BUTYRIC ACID AND ANALOGS | Merck & Co., Inc. (US) | 1998-02-25 | — | — | EP | disclosed |
| US-5574176-A | Synthesis of an intermediate for the preparation of 5,6-dihydro-(s)-4-(ethylamino)-(s)-6-methyl-4h-thieno [2,3-b]thiopyran-2-sulfonamide 7,7-dioxide intermediates and related compounds | MERCK & CO., INC. (US) | 1996-11-12 | — | — | US | disclosed |
| WO-1996033990-A1 | SYNTHESIS OF (S)-3-(2-THIENYLTHIO) BUTYRIC ACID AND ANALOGS | MERCK & CO., INC. (US) | 1996-10-31 | — | — | WO | disclosed |