⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14067630 | 0.85 | — | — | |
| SCHEMBL13004301 | 0.83 | — | — | |
| SCHEMBL13060275 | 0.77 | — | — | |
| SCHEMBL13060330 | 0.75 | SLC6A3 (0.33) | — | |
| SCHEMBL13060271 | 0.75 | KMT2A (0.39) | — | |
| SCHEMBL4594488 | 0.73 | POLB (0.36) | — | |
| SCHEMBL13060272 | 0.73 | HRH1 (0.37) | — | |
| SCHEMBL17198893 | 0.70 | POLB (0.39) | — | |
| SCHEMBL3765464 | 0.70 | POLB (0.39) | — | |
| SCHEMBL3770573 | 0.70 | POLB (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7846956-B2 | Malononitrile compound as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-12-07 | — | — | US | disclosed |
| US-20090149425-A1 | Malononitrile compound as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-06-11 | — | — | US | disclosed |