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 | |
|---|---|---|---|---|
| SCHEMBL35058 | 0.92 | — | — | |
| SCHEMBL6692296 | 0.88 | — | — | |
| SCHEMBL1268918 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL28552527 | 0.81 | ALDH1A1 (0.43) | — | |
| SCHEMBL10942974 | 0.74 | — | — | |
| Hexane SCHEMBL7071302 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL2108652 | 0.72 | — | — | |
| SCHEMBL833622 | 0.72 | — | — | |
| Tetrahydrofuran SCHEMBL7067246 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL31135447 | 0.67 | LMNA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105985303-B | Preparation method of anticoagulant, intermediate and preparation method thereof | 上海彩迩文生化科技有限公司 | 2020-08-14 | — | — | CN | disclosed |
| US-20040010138-A1 | Process for the production of 7alpha-methyl steroids | SCHERING AG (DE) | 2004-01-15 | — | — | US | disclosed |
| WO-2003079961-A2 | METHOD FOR PRODUCING 7$G(A)-METHYL STEROIDS | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-10-02 | — | — | WO | disclosed |