⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25743794 | 1.00 | — | — | |
| SCHEMBL15468603 | 0.74 | MEN1 (0.38) | — | |
| SCHEMBL18945784 | 0.72 | HTR3A (0.39) | — | |
| SCHEMBL14143228 | 0.70 | CHRNB4 (0.32) | — | |
| SCHEMBL14382099 | 0.69 | DRD2 (0.37) | — | |
| SCHEMBL13366336 | 0.67 | SLC18A3 (0.38) | — | |
| SCHEMBL25743792 | 0.64 | — | — | |
| SCHEMBL14267977 | 0.63 | — | — | |
| SCHEMBL15435520 | 0.62 | PDE4A (0.34) | — | |
| SCHEMBL1638075 | 0.60 | SLC18A3 (0.43) | — |
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-2009001132-A1 | PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |