⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29128487 | 0.76 | — | — | |
| SCHEMBL29128191 | 0.69 | FAAH (0.30) | — | |
| SCHEMBL29128455 | 0.68 | SORT1 (0.31) | — | |
| SCHEMBL29128422 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL29128175 | 0.65 | METAP2 (0.30) | — | |
| SCHEMBL13339424 | 0.65 | MAPK1 (0.44) | — | |
| SCHEMBL29128392 | 0.64 | DAO (0.31) | — | |
| SCHEMBL29128305 | 0.64 | — | — | |
| SCHEMBL29128386 | 0.64 | LDHA (0.32) | — | |
| SCHEMBL19542955 | 0.63 | MEN1 (0.30) | — |
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 |