⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13045925 | 0.76 | — | — | |
| SCHEMBL13045922 | 0.76 | — | — | |
| SCHEMBL19310973 | 0.75 | — | — | |
| SCHEMBL11624326 | 0.60 | HDAC3 (0.37) | — | |
| SCHEMBL12318018 | 0.59 | — | — | |
| SCHEMBL8319635 | 0.59 | — | — | |
| SCHEMBL9512543 | 0.59 | — | — | |
| SCHEMBL18518826 | 0.59 | — | — | |
| SCHEMBL8353750 | 0.57 | — | — | |
| SCHEMBL14197030 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009055514-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | WO | disclosed |