⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15063712 | 0.88 | — | — | |
| SCHEMBL15086640 | 0.86 | — | — | |
| SCHEMBL19847976 | 0.83 | — | — | |
| SCHEMBL454629 | 0.80 | SIGMAR1 (0.30) | — | |
| SCHEMBL15086663 | 0.80 | SLC5A1 (0.39) | — | |
| SCHEMBL15063713 | 0.79 | — | — | |
| SCHEMBL455627 | 0.79 | — | — | |
| SCHEMBL12503745 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL19847864 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL16361904 | 0.78 | MEN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012033225-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-03-15 | — | — | WO | disclosed |