⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27354874 | 0.71 | — | — | |
| SCHEMBL10073402 | 0.70 | — | — | |
| SCHEMBL8325966 | 0.70 | — | — | |
| SCHEMBL10211165 | 0.70 | — | — | |
| SCHEMBL14402659 | 0.69 | — | — | |
| SCHEMBL20015710 | 0.68 | — | — | |
| SCHEMBL24628472 | 0.66 | — | — | |
| SCHEMBL23332630 | 0.66 | — | — | |
| SCHEMBL23593759 | 0.66 | — | — | |
| SCHEMBL19597414 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1385817-B1 | MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2008-12-03 | — | — | EP | disclosed |