⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2116156 | 0.73 | — | — | |
| SCHEMBL10895825 | 0.71 | — | — | |
| SCHEMBL28072733 | 0.71 | — | — | |
| SCHEMBL2117320 | 0.71 | APP (0.39) | — | |
| SCHEMBL28293439 | 0.69 | — | — | |
| SCHEMBL10529738 | 0.68 | APP (0.40) | — | |
| SCHEMBL9346702 | 0.68 | TDP1 (0.43) | — | |
| SCHEMBL10529744 | 0.68 | APP (0.56) | — | |
| SCHEMBL4140429 | 0.67 | TYR (0.39) | — | |
| Hydrochloric Acid SCHEMBL9658601 | 0.67 | TDP1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2009103950-A1 | FLUORINATED PYRIDIN-4-0NES | BTG INTERNATIONAL LIMITED (GB) | 2009-08-27 | — | — | WO | disclosed |