⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3194530 | 0.65 | CES2 (0.35) | — | |
| SCHEMBL4636241 | 0.65 | ERN1 (0.37) | — | |
| SCHEMBL5881043 | 0.65 | ERN1 (0.37) | — | |
| SCHEMBL17514757 | 0.64 | PTP4A3 (0.33) | — | |
| SCHEMBL3850999 | 0.61 | RAPGEF4 (0.39) | — | |
| SCHEMBL362875 | 0.61 | CES2 (0.32) | — | |
| SCHEMBL9606815 | 0.61 | CES2 (0.37) | — | |
| SCHEMBL28382564 | 0.61 | RAPGEF4 (0.33) | — | |
| SCHEMBL14524684 | 0.61 | HTR2A (0.38) | — | |
| SCHEMBL15091607 | 0.59 | CA12 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2042491-A1 | Pyridazines as fungicides | Bayer CropScience AG (DE) | 2009-04-01 | — | — | EP | disclosed |