⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29126060 | 0.89 | BRS3 (0.36) | — | |
| SCHEMBL29125743 | 0.79 | TTR (0.33) | — | |
| SCHEMBL29125986 | 0.77 | ALOX15 (0.34) | — | |
| SCHEMBL29125786 | 0.76 | KDM4E (0.35) | — | |
| SCHEMBL29125899 | 0.75 | HTT (0.34) | — | |
| SCHEMBL29125715 | 0.75 | ADRA2A (0.36) | — | |
| SCHEMBL29125854 | 0.73 | ENPP3 (0.44) | — | |
| SCHEMBL29125811 | 0.73 | ADORA2A (0.34) | — | |
| SCHEMBL29125881 | 0.73 | KMT2A (0.31) | — | |
| SCHEMBL29125900 | 0.73 | LMNA (0.34) | — |
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 |