⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29125737 | 0.87 | TSHR (0.41) | — | |
| SCHEMBL29125676 | 0.85 | KMT2A (0.34) | — | |
| SCHEMBL29125832 | 0.73 | KMT2A (0.45) | — | |
| SCHEMBL29125983 | 0.71 | KDM4E (0.34) | — | |
| SCHEMBL29125736 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL29125849 | 0.68 | KDM4E (0.39) | — | |
| SCHEMBL29125808 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL30788471 | 0.67 | KMT2A (0.36) | — | |
| SCHEMBL29125904 | 0.67 | KMT2A (0.36) | — | |
| SCHEMBL29125885 | 0.62 | TSHR (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-117247361-A | Phenol-oxazolone/thioketone compound and synthetic method and application thereof | 吉首大学 | 2023-12-19 | — | — | CN | disclosed |