⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL445036 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL15624431 | 0.81 | — | — | |
| SCHEMBL188694 | 0.73 | MEN1 (0.41) | — | |
| SCHEMBL13789775 | 0.71 | — | — | |
| SCHEMBL15259551 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL6296929 | 0.69 | — | — | |
| SCHEMBL8566888 | 0.67 | — | — | |
| SCHEMBL6979135 | 0.67 | XDH (0.50) | — | |
| SCHEMBL8565410 | 0.66 | TSHR (0.31) | — | |
| SCHEMBL13789774 | 0.65 | MEN1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0887343-B1 | Herbicidal 3,5-difluoropyridines | BASF AG (DE) | 2003-06-11 | — | — | EP | claimed |