⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12902032 | 0.79 | — | — | |
| SCHEMBL16215968 | 0.78 | — | — | |
| SCHEMBL15959281 | 0.73 | — | — | |
| SCHEMBL25950519 | 0.71 | — | — | |
| SCHEMBL15739544 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL11313206 | 0.66 | GLRA1 (0.39) | — | |
| SCHEMBL800966 | 0.66 | — | — | |
| SCHEMBL8697552 | 0.65 | — | — | |
| SCHEMBL15606202 | 0.65 | — | — | |
| SCHEMBL20403663 | 0.65 | DPP4 (0.31) | — |
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 |