⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8932271 | 0.75 | KMT2A (0.39) | — | |
| SCHEMBL8932234 | 0.75 | KMT2A (0.49) | — | |
| SCHEMBL8932259 | 0.70 | PTGS1 (0.32) | — | |
| SCHEMBL8932265 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL8932244 | 0.67 | KMT2A (0.48) | — | |
| SCHEMBL8932318 | 0.66 | PKM (0.43) | — | |
| SCHEMBL8932284 | 0.63 | TGFBR1 (0.41) | — | |
| SCHEMBL8932311 | 0.63 | KMT2A (0.46) | — | |
| SCHEMBL8932302 | 0.63 | KMT2A (0.44) | — | |
| SCHEMBL8932283 | 0.62 | KMT2A (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5536701-A | 3-pyrazolyloxypyridazines, herbicidal compositions and uses thereof | MONSANTO COMPANY (US) | 1996-07-16 | — | — | US | disclosed |