⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5600996 | 0.80 | — | — | |
| SCHEMBL8071496 | 0.76 | PPARA (0.40) | — | |
| SCHEMBL8060767 | 0.72 | ALOX5 (0.53) | — | |
| SCHEMBL6910037 | 0.72 | ALOX5 (0.45) | — | |
| SCHEMBL5968499 | 0.71 | GFER (0.54) | — | |
| SCHEMBL5968692 | 0.71 | GFER (0.54) | — | |
| SCHEMBL5968498 | 0.71 | GFER (0.54) | — | |
| SCHEMBL6912020 | 0.71 | PKM (0.45) | — | |
| SCHEMBL1730305 | 0.71 | GFER (0.57) | — | |
| SCHEMBL1727948 | 0.71 | GFER (0.57) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4711625-B2 | — | — | 2011-06-29 | — | — | JP | claimed |
| EP-1443821-A1 | FUNGICIDAL COMPOSITION BASED ON A PYRIDYLMETHYLBENZAMIDE DERIVATIVE AND A VALINAMIDE DERIVATIVE | Bayer CropScience S.A. (FR) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003041501-A1 | FUNGICIDAL COMPOSITION BASED ON A PYRIDYLMETHYLBENZAMIDE DERIVATIVE AND A VALINAMIDE DERIVATIVE | BAYER CROPSCIENCE S.A. (FR) | 2003-05-22 | — | — | WO | disclosed |