⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4428175 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL12886358 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL4299339 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL82660 | 0.79 | CYP2C19 (0.30) | — | |
| SCHEMBL9868411 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL8993637 | 0.76 | — | — | |
| SCHEMBL21758880 | 0.74 | — | — | |
| SCHEMBL27946985 | 0.73 | — | — | |
| SCHEMBL4288866 | 0.71 | CYP2C19 (0.31) | — | |
| SCHEMBL1067333 | 0.71 | HTT (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2061470-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | Neurogen Corporation (US) | 2009-05-27 | — | — | EP | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| WO-2008024433-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2008-02-28 | — | — | WO | disclosed |