⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8301320 | 1.00 | — | — | |
| SCHEMBL8307299 | 0.74 | — | — | |
| SCHEMBL8307303 | 0.74 | — | — | |
| SCHEMBL8304335 | 0.70 | — | — | |
| SCHEMBL8302198 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL19403247 | 0.67 | GPR3 (0.32) | — | |
| SCHEMBL19403245 | 0.67 | GPR3 (0.32) | — | |
| SCHEMBL8302038 | 0.67 | MIF (0.35) | — | |
| SCHEMBL8302035 | 0.67 | MIF (0.35) | — | |
| SCHEMBL8301543 | 0.65 | TDP1 (0.37) | — |
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-0948485-A1 | PESTICIDAL 1-ARYLPYRAZOLES | RHONE-POULENC AGROCHIMIE (FR) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998028278-A1 | PESTICIDAL 1-ARYLPYRAZOLES | RHONE-POULENC AGROCHIMIE (FR) | 1998-07-02 | — | — | WO | disclosed |