⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3669190 | 0.85 | S100A4 (0.32) | — | |
| SCHEMBL4439144 | 0.75 | PLK4 (0.31) | — | |
| SCHEMBL4429902 | 0.73 | — | — | |
| SCHEMBL3410427 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL4439375 | 0.71 | F11 (0.33) | — | |
| SCHEMBL14371942 | 0.71 | TGM2 (0.37) | — | |
| SCHEMBL4437895 | 0.69 | L3MBTL1 (0.33) | — | |
| SCHEMBL360305 | 0.68 | SQOR (0.44) | — | |
| SCHEMBL221777 | 0.68 | CA2 (0.35) | — | |
| SCHEMBL3663442 | 0.68 | MEN1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121660-A2 | FUNGICIDAL AMIDES | E. I. Du Pont de Nemours and Company (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008091580-A2 | FUNGICIDAL AMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-31 | — | — | WO | disclosed |
| EP-1948649-A2 | FUNGICIDAL CARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007014290-A2 | FUNGICIDAL CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-02-01 | — | — | WO | disclosed |