⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4934857 | 0.98 | CYP3A4 (0.56) | — | |
| Ammonia Solution, Strong SCHEMBL28732230 | 0.98 | CYP3A4 (0.56) | — | |
| Ammonia Solution, Strong SCHEMBL28166074 | 0.98 | CYP3A4 (0.56) | — | |
| SCHEMBL2459739 | 0.93 | LPAR3 (0.65) | — | |
| Ammonia Solution, Strong SCHEMBL28719005 | 0.92 | CYP3A4 (0.50) | — | |
| SCHEMBL2712213 | 0.91 | LPAR3 (0.69) | — | |
| SCHEMBL11351477 | 0.91 | LPAR3 (0.69) | — | |
| SCHEMBL31152147 | 0.91 | LPAR3 (0.69) | — | |
| Iodide SCHEMBL3909272 | 0.91 | LPAR3 (0.63) | — | |
| SCHEMBL28654084 | 0.91 | LPAR3 (0.69) | — |
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-114728992-A | Method for producing phosphate compound | 斯泰拉化工公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-108475822-B | Nonaqueous electrolyte solution for secondary battery and secondary battery provided with same | 斯泰拉化工公司 | 2022-03-11 | — | — | CN | disclosed |