⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29029310 | 0.74 | — | — | |
| SCHEMBL9862675 | 0.73 | — | — | |
| SCHEMBL9862672 | 0.73 | — | — | |
| SCHEMBL9576942 | 0.71 | — | — | |
| SCHEMBL9576944 | 0.71 | — | — | |
| SCHEMBL6237587 | 0.70 | — | — | |
| SCHEMBL6237585 | 0.70 | — | — | |
| SCHEMBL3772084 | 0.70 | — | — | |
| SCHEMBL9502583 | 0.70 | — | — | |
| SCHEMBL9502579 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1704143-A1 | MALONONITRILE COMPOUND AS PESTICIDES | Sumitomo Chemical Company, Limited (JP) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005068432-A1 | MALONONITRILE COMPOUND AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-07-28 | — | — | WO | disclosed |