⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL101460 | 0.82 | — | — | |
| SCHEMBL101752 | 0.77 | — | — | |
| SCHEMBL4126698 | 0.77 | — | — | |
| SCHEMBL6222795 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL14728239 | 0.71 | — | — | |
| SCHEMBL1565996 | 0.71 | DPP4 (0.37) | — | |
| Hydrochloric Acid SCHEMBL14716385 | 0.70 | — | — | |
| SCHEMBL25728476 | 0.68 | OPRM1 (0.37) | — | |
| SCHEMBL31392705 | 0.68 | — | — | |
| SCHEMBL24152314 | 0.67 | — | — |
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-20090042856-A1 | PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN | ASTELLAS PHARMA INC (JP) | 2009-02-12 | — | — | US | disclosed |
| EP-1919919-A1 | PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN | Astellas Pharma Inc. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026950-A1 | PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN | ASTELLAS PHARMA INC. (JP) | 2007-03-08 | — | — | WO | disclosed |