⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9227518 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL4663153 | 0.78 | CYP1A2 (0.31) | — | |
| SCHEMBL29261155 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL8954285 | 0.72 | AKT1 (0.36) | — | |
| SCHEMBL2875604 | 0.71 | CYP1A2 (0.32) | — | |
| SCHEMBL22922956 | 0.70 | NAAA (0.38) | — | |
| SCHEMBL18820422 | 0.70 | NAAA (0.38) | — | |
| SCHEMBL2137784 | 0.69 | NAAA (0.36) | — | |
| Decane SCHEMBL5581807 | 0.69 | ALDH1A1 (0.50) | — | |
| Decane SCHEMBL11509639 | 0.69 | ALDH1A1 (0.50) | — |
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-119868667-A | Support with super-lubricating coating, and preparation method and application thereof | 复旦大学附属中山医院 | 2025-04-25 | — | — | CN | disclosed |