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 | |
|---|---|---|---|---|
| SCHEMBL2850771 | 0.95 | — | — | |
| Lithium Ion SCHEMBL2854227 | 0.75 | — | — | |
| SCHEMBL3002500 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL11159228 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL30480021 | 0.74 | TSHR (0.35) | — | |
| Lithium Ion SCHEMBL2854291 | 0.72 | — | — | |
| Lithium Ion SCHEMBL2850860 | 0.71 | CYP3A4 (0.48) | — | |
| SCHEMBL2850082 | 0.70 | — | — | |
| SCHEMBL2854895 | 0.70 | — | — | |
| SCHEMBL2849603 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8436111-B2 | Nickel catalyst system for the preparation of high CIS polybutadiene | BRIDGESTONE CORPORATION (JP) | 2013-05-07 | — | — | US | claimed |
| US-20100093920-A1 | NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE | BRIDGESTONE CORPORATION (JP) | 2010-04-15 | — | — | US | claimed |
| US-8436111-B2 | Nickel catalyst system for the preparation of high CIS polybutadiene | BRIDGESTONE CORPORATION (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20100093920-A1 | NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE | BRIDGESTONE CORPORATION (JP) | 2010-04-15 | — | — | US | disclosed |