⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15959289 | 0.88 | PDCD1 (0.31) | — | |
| SCHEMBL12949738 | 0.74 | XIAP (0.31) | — | |
| SCHEMBL2118833 | 0.69 | MAPT (0.36) | — | |
| SCHEMBL12949950 | 0.62 | PDCD1 (0.31) | — | |
| SCHEMBL12949835 | 0.62 | TYR (0.36) | — | |
| SCHEMBL13386368 | 0.62 | TYR (0.36) | — | |
| SCHEMBL13386364 | 0.61 | XIAP (0.33) | — | |
| SCHEMBL15959284 | 0.59 | KDM4E (0.31) | — | |
| SCHEMBL12949566 | 0.57 | — | — | |
| SCHEMBL15959308 | 0.57 | HSD17B10 (0.33) | — |
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-2448922-B1 | FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES | APOTEX TECHNOLOGIES INC (CA) | 2014-08-20 | — | — | EP | disclosed |