⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL456105 | 0.80 | KDM1A (0.33) | — | |
| SCHEMBL456933 | 0.77 | — | — | |
| SCHEMBL458262 | 0.77 | KDM1A (0.30) | — | |
| SCHEMBL455053 | 0.76 | HTR2A (0.34) | — | |
| SCHEMBL456867 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL455137 | 0.75 | HTR2A (0.30) | — | |
| SCHEMBL5576897 | 0.74 | KDM1A (0.31) | — | |
| SCHEMBL457780 | 0.73 | KDM1A (0.35) | — | |
| SCHEMBL458626 | 0.73 | HTR2A (0.34) | — | |
| SCHEMBL458933 | 0.71 | KDM1A (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2614053-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012033225-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-03-15 | — | — | WO | disclosed |