⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1820596 | 0.60 | — | — | |
| SCHEMBL7932155 | 0.49 | — | — | |
| SCHEMBL5249824 | 0.40 | CSNK2A1 (0.33) | — | |
| Chlorolithium SCHEMBL28489983 | 0.36 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.36 | — | — | |
| SCHEMBL391978 | 0.34 | — | — | |
| SCHEMBL31277021 | 0.34 | — | — | |
| Calcium Chloride SCHEMBL25175017 | 0.33 | — | — | |
| Calcium Chloride SCHEMBL20577233 | 0.33 | — | — | |
| Calcium Chloride SCHEMBL19989728 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008091594-A2 | FUNGICIDAL MIXTURES | 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 |