⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4301980 | 0.78 | GABRA1 (0.34) | — | |
| SCHEMBL8123787 | 0.74 | TGM2 (0.34) | — | |
| SCHEMBL4302600 | 0.73 | PARP1 (0.34) | — | |
| SCHEMBL8121964 | 0.63 | — | — | |
| SCHEMBL8557286 | 0.62 | CES1 (0.37) | — | |
| SCHEMBL8113678 | 0.61 | — | — | |
| SCHEMBL8114807 | 0.61 | GRIN2D (0.37) | — | |
| SCHEMBL2334055 | 0.60 | EPHX2 (0.41) | — | |
| SCHEMBL6013572 | 0.59 | PDE3B (0.33) | — | |
| SCHEMBL8124019 | 0.58 | GRIN2D (0.30) | — |
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-2011089099-A1 | 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-28 | — | — | WO | disclosed |