⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5743667 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL5701320 | 0.86 | MRGPRX4 (0.34) | — | |
| SCHEMBL6258555 | 0.69 | PDE2A (0.39) | — | |
| SCHEMBL5747297 | 0.69 | KIF11 (0.39) | — | |
| SCHEMBL4668535 | 0.67 | PDE2A (0.33) | — | |
| SCHEMBL6576619 | 0.66 | GAA (0.31) | — | |
| SCHEMBL5746326 | 0.65 | MRGPRX4 (0.36) | — | |
| SCHEMBL5747289 | 0.64 | PDE2A (0.35) | — | |
| SCHEMBL5744940 | 0.64 | MRGPRX4 (0.37) | — | |
| SCHEMBL5747293 | 0.64 | MAPT (0.40) | — |
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-6673956-B2 | INTERMEDIATES (PARTICULARLY 2-(ARYLHYDRAZINO)SUCCINONITRILE COMPOUNDS AND 3-(ARYLHYDRAZONO)PROPIONITRILE DERIVATIVES FOR PESTICIDES, BY REACTING DIALKOXYPROPIONITRILE WITH AN ACID ADDITION SALT OF ARYLHYDRAZINE | AVENTIS AGRICULTURE LTD. (GB) | 2004-01-06 | — | — | US | disclosed |
| US-20020128485-A1 | Processes for preparing pesticidal intermediates | MERIAL LIMITED | 2002-09-12 | — | — | US | disclosed |