⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29128327 | 0.84 | SLC22A4 (0.32) | — | |
| SCHEMBL29128483 | 0.82 | DPYD (0.33) | — | |
| SCHEMBL29128317 | 0.81 | POLB (0.33) | — | |
| SCHEMBL29128400 | 0.78 | PPARG (0.39) | — | |
| SCHEMBL29128499 | 0.77 | LMNA (0.47) | — | |
| SCHEMBL29128344 | 0.75 | — | — | |
| SCHEMBL29128508 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL29128178 | 0.72 | KDM4E (0.37) | — | |
| SCHEMBL29128352 | 0.72 | SLC22A4 (0.32) | — | |
| SCHEMBL29128307 | 0.70 | KDM4E (0.35) | — |
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 |