⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6709412 | 0.78 | CYP2A6 (0.41) | — | |
| SCHEMBL11687667 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL4367790 | 0.78 | NOTUM (0.33) | — | |
| SCHEMBL232211 | 0.78 | — | — | |
| SCHEMBL456035 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL1226577 | 0.77 | MEN1 (0.39) | — | |
| SCHEMBL14236912 | 0.74 | MEN1 (0.42) | — | |
| SCHEMBL5085590 | 0.73 | — | — | |
| SCHEMBL11399787 | 0.71 | C1R (0.35) | — | |
| SCHEMBL17163826 | 0.69 | MAPT (0.39) | — |
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 |