⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL934049 | 0.77 | — | — | |
| SCHEMBL11917711 | 0.74 | — | — | |
| SCHEMBL17021251 | 0.74 | — | — | |
| SCHEMBL15783069 | 0.70 | NCF1 (0.41) | — | |
| SCHEMBL27764878 | 0.69 | NCF1 (0.34) | — | |
| SCHEMBL1749986 | 0.69 | NCF1 (0.34) | — | |
| SCHEMBL6901390 | 0.69 | APLNR (0.59) | — | |
| SCHEMBL13662870 | 0.69 | ALDH1A1 (0.52) | — | |
| SCHEMBL2735017 | 0.67 | GNAI3 (0.50) | — | |
| SCHEMBL23627011 | 0.67 | HTR2A (0.33) | — |
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-2017210685-A1 | PYRADAZINONE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME | An2H Discovery Limited (IE) | 2017-12-07 | — | — | WO | disclosed |