⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11809890 | 0.78 | — | — | |
| Urethane SCHEMBL11547426 | 0.76 | ALOX15 (0.62) | — | |
| SCHEMBL27602946 | 0.75 | — | — | |
| SCHEMBL27602947 | 0.75 | — | — | |
| SCHEMBL27641883 | 0.74 | NAAA (0.39) | — | |
| SCHEMBL4724903 | 0.74 | — | — | |
| SCHEMBL4071209 | 0.74 | — | — | |
| SCHEMBL9445541 | 0.70 | — | — | |
| SCHEMBL5248526 | 0.70 | — | — | |
| Urethane SCHEMBL28315970 | 0.70 | ALOX15 (0.68) | — |
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-113083514-B | Double-ligand type oxadiazole thioketone collecting agent and preparation method and application thereof | 山东理工大学 | 2022-05-27 | — | — | CN | disclosed |