⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8932285 | 0.73 | TGFBR1 (0.34) | — | |
| SCHEMBL8932235 | 0.72 | — | — | |
| SCHEMBL8740164 | 0.59 | ALDH1A1 (0.45) | — | |
| SCHEMBL30930522 | 0.58 | CYP4F2 (0.31) | — | |
| SCHEMBL20590831 | 0.57 | FGFR1 (0.43) | — | |
| SCHEMBL8932261 | 0.56 | HDAC1 (0.35) | — | |
| SCHEMBL8932318 | 0.56 | PKM (0.43) | — | |
| SCHEMBL9005068 | 0.56 | CYP11B1 (0.38) | — | |
| SCHEMBL8932234 | 0.56 | KMT2A (0.49) | — | |
| SCHEMBL10321794 | 0.55 | LTA4H (0.48) | — |
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 |