⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14085838 | 0.84 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL2220595 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL16885250 | 0.73 | PTPN1 (0.34) | — | |
| SCHEMBL14110863 | 0.73 | PKM (0.35) | — | |
| SCHEMBL3509070 | 0.73 | DPP4 (0.31) | — | |
| SCHEMBL13655643 | 0.72 | DGAT1 (0.34) | — | |
| SCHEMBL7946781 | 0.72 | POLB (0.43) | — | |
| SCHEMBL2223302 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL23010730 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL16889109 | 0.69 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120283216-A1 | FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY | 2012-11-08 | — | — | US | disclosed |
| EP-2516385-A2 | FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES | E. I. du Pont de Nemours and Company (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2012087372-A1 | FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-06-28 | — | — | WO | disclosed |
| WO-2011087837-A2 | FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-21 | — | — | WO | disclosed |