⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5796082 | 1.00 | — | — | |
| SCHEMBL4519854 | 0.67 | — | — | |
| SCHEMBL5799610 | 0.67 | — | — | |
| SCHEMBL5799611 | 0.67 | — | — | |
| SCHEMBL1959816 | 0.64 | — | — | |
| SCHEMBL14890985 | 0.64 | — | — | |
| SCHEMBL4507847 | 0.61 | — | — | |
| SCHEMBL29217856 | 0.60 | — | — | |
| SCHEMBL33042 | 0.55 | — | — | |
| SCHEMBL19413956 | 0.55 | — | — |
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-2006037496-A1 | POLYHALOGENATED PROPENE BENZOQUINONE DIOXIME DERIVATIVES AND ITS USE AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2006-04-13 | — | — | WO | disclosed |