⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5886296 | 0.84 | TTBK1 (0.31) | — | |
| SCHEMBL5886337 | 0.82 | PDE10A (0.32) | — | |
| SCHEMBL5886261 | 0.82 | BRD4 (0.34) | — | |
| SCHEMBL5886442 | 0.81 | KCNH2 (0.36) | — | |
| SCHEMBL5886401 | 0.80 | KCNH2 (0.32) | — | |
| SCHEMBL4155476 | 0.80 | ALOX5AP (0.32) | — | |
| SCHEMBL4163017 | 0.80 | KCNH2 (0.36) | — | |
| SCHEMBL5886360 | 0.80 | GRM5 (0.32) | — | |
| SCHEMBL5886417 | 0.79 | KDM4E (0.34) | — | |
| SCHEMBL5886275 | 0.79 | ALDH1A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7122546-B2 | Imidazol-1-ylmethyl pyridazine derivatives | NEUROGEN CORPORATION (US) | 2006-10-17 | — | — | US | claimed |
| US-20040077653-A1 | Imidazol-1-ylmethyl pyridazine derivatives | NEUROGEN CORPORATION | 2004-04-22 | — | — | US | claimed |
| US-7122546-B2 | Imidazol-1-ylmethyl pyridazine derivatives | NEUROGEN CORPORATION (US) | 2006-10-17 | — | — | US | disclosed |
| WO-2004031174-A1 | IMIDAZOL-1-YLMETHYL PYRIDAZINE DERIVATIVES | NEUROGEN CORPORATION (US) | 2004-04-15 | — | — | WO | disclosed |