⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28775958 | 0.70 | — | — | |
| SCHEMBL29001795 | 0.70 | — | — | |
| SCHEMBL14715700 | 0.65 | — | — | |
| SCHEMBL18398540 | 0.63 | — | — | |
| SCHEMBL8808835 | 0.63 | HRH3 (0.41) | — | |
| SCHEMBL29845742 | 0.62 | — | — | |
| SCHEMBL1269239 | 0.62 | — | — | |
| SCHEMBL13495927 | 0.59 | — | — | |
| SCHEMBL26196614 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL25381564 | 0.57 | NAPRT (0.32) | — |
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-114213353-B | Aryl-oxazole-oxazoline compound and preparation method and application thereof | 贵州大学 | 2023-04-14 | — | — | CN | disclosed |