⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28435854 | 0.80 | — | — | |
| SCHEMBL599288 | 0.80 | — | — | |
| SCHEMBL15536279 | 0.78 | LMNA (0.36) | — | |
| SCHEMBL4532448 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL11476028 | 0.78 | — | — | |
| SCHEMBL4521657 | 0.76 | — | — | |
| SCHEMBL11436943 | 0.74 | — | — | |
| SCHEMBL4514844 | 0.74 | THRB (0.42) | — | |
| SCHEMBL1132741 | 0.73 | — | — | |
| SCHEMBL11619528 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119161250-A | Unsaturated bond-containing carbonate and preparation method and application thereof | 香河昆仑新能源材料股份有限公司 | 2024-12-20 | — | — | CN | disclosed |
| CN-119092829-A | Lithium ion battery electrolyte and lithium ion battery | 香河昆仑新能源材料股份有限公司 | 2024-12-06 | — | — | CN | disclosed |