⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL384814 | 0.72 | — | — | |
| SCHEMBL30124861 | 0.72 | — | — | |
| SCHEMBL17200370 | 0.68 | — | — | |
| SCHEMBL27979334 | 0.68 | — | — | |
| SCHEMBL1648413 | 0.68 | — | — | |
| SCHEMBL30867766 | 0.68 | — | — | |
| SCHEMBL30239830 | 0.68 | — | — | |
| SCHEMBL2769317 | 0.68 | — | — | |
| SCHEMBL2421632 | 0.65 | — | — | |
| SCHEMBL2489829 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080175794-A1 | Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues | NEUROGEN CORPORATION (US) | 2008-07-24 | — | — | US | disclosed |
| US-20080175794-A1 | Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues | NEUROGEN CORPORATION (US) | 2008-07-24 | — | — | US | disclosed |
| US-5536701-A | 3-pyrazolyloxypyridazines, herbicidal compositions and uses thereof | MONSANTO COMPANY (US) | 1996-07-16 | — | — | US | disclosed |