⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13900845 | 1.00 | — | — | |
| SCHEMBL19310592 | 0.82 | — | — | |
| SCHEMBL13746876 | 0.82 | — | — | |
| SCHEMBL20039487 | 0.77 | — | — | |
| SCHEMBL4881973 | 0.77 | — | — | |
| SCHEMBL17039365 | 0.77 | — | — | |
| SCHEMBL2318696 | 0.76 | — | — | |
| SCHEMBL7859415 | 0.76 | — | — | |
| SCHEMBL2318695 | 0.76 | — | — | |
| SCHEMBL17039473 | 0.76 | — | — |
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-118084726-A | 1-Cyano-2-hydroxy-5-fluoro compound and preparation method thereof | 南京工业大学 | 2024-05-28 | — | — | CN | claimed |
| CN-118084726-A | 1-Cyano-2-hydroxy-5-fluoro compound and preparation method thereof | 南京工业大学 | 2024-05-28 | — | — | CN | disclosed |