⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31721637 | 0.73 | — | — | |
| SCHEMBL12952917 | 0.73 | — | — | |
| SCHEMBL27003588 | 0.70 | JAK2 (0.42) | — | |
| SCHEMBL13312286 | 0.67 | — | — | |
| SCHEMBL13901158 | 0.65 | TDO2 (0.41) | — | |
| SCHEMBL18652598 | 0.65 | TDO2 (0.36) | — | |
| SCHEMBL26505991 | 0.65 | TDO2 (0.37) | — | |
| SCHEMBL8111553 | 0.64 | JAK2 (0.40) | — | |
| SCHEMBL1630091 | 0.64 | — | — | |
| SCHEMBL10071333 | 0.64 | TDO2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2064185-A1 | 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS | Ferrer Internacional, S.A. (ES) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008017710-A1 | 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS | FERRER INTERNACIONAL S.A. (ES) | 2008-02-14 | — | — | WO | disclosed |