⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21460 | 0.70 | — | — | |
| SCHEMBL3713479 | 0.64 | — | — | |
| SCHEMBL30277738 | 0.64 | — | — | |
| SCHEMBL30128711 | 0.64 | — | — | |
| Allyl Alcohol SCHEMBL5688790 | 0.64 | — | — | |
| Allylamine SCHEMBL31401630 | 0.61 | — | — | |
| SCHEMBL129001 | 0.61 | — | — | |
| SCHEMBL32665919 | 0.60 | — | — | |
| SCHEMBL25438537 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL1486866 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1597252-A1 | PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS | Bayer CropScience S.A. (FR) | 2005-11-23 | — | — | EP | claimed |
| WO-2004074280-A1 | PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS | BAYER CROPSCIENCE SA (FR) | 2004-09-02 | — | — | WO | claimed |