⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22146551 | 0.83 | — | — | |
| SCHEMBL17515252 | 0.74 | — | — | |
| SCHEMBL8133406 | 0.72 | — | — | |
| SCHEMBL8133404 | 0.72 | — | — | |
| SCHEMBL11319609 | 0.65 | LPAR3 (0.30) | — | |
| SCHEMBL7773058 | 0.65 | LPAR3 (0.30) | — | |
| SCHEMBL310640 | 0.65 | — | — | |
| SCHEMBL2047452 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL778646 | 0.63 | — | — | |
| SCHEMBL2047451 | 0.63 | ALDH1A1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112480992-A | Preparation method of borate type brake fluid | 安徽天驰先锋油品制造有限公司 | 2021-03-12 | — | — | CN | disclosed |