⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10465143 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL29353100 | 0.82 | — | — | |
| SCHEMBL30744058 | 0.82 | — | — | |
| SCHEMBL30933077 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL476820 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL11645103 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL5575722 | 0.67 | — | — | |
| Charcoal, Activated SCHEMBL192194 | 0.67 | — | — | |
| SCHEMBL3239520 | 0.67 | — | — | |
| SCHEMBL2885845 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119281328-A | Super-hydrophobic catalyst for catalyzing ethanol water phase coupling and preparation method and application thereof | 广东工业大学 | 2025-01-10 | — | — | CN | claimed |
| CN-119281328-A | Super-hydrophobic catalyst for catalyzing ethanol water phase coupling and preparation method and application thereof | 广东工业大学 | 2025-01-10 | — | — | CN | disclosed |