⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29128177 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL29128195 | 0.78 | MAPT (0.32) | — | |
| SCHEMBL29128387 | 0.75 | LMNA (0.37) | — | |
| SCHEMBL29128374 | 0.74 | MEN1 (0.37) | — | |
| SCHEMBL29128421 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL29128381 | 0.73 | — | — | |
| SCHEMBL29128375 | 0.73 | MEN1 (0.34) | — | |
| SCHEMBL29128409 | 0.72 | CXCR2 (0.34) | — | |
| SCHEMBL29128194 | 0.72 | GABRA1 (0.35) | — | |
| SCHEMBL29128342 | 0.70 | HSD17B10 (0.36) | — |
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-117263862-A | Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof | 吉首大学 | 2023-12-22 | — | — | CN | disclosed |