⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2782064 | 0.97 | — | — | |
| SCHEMBL119227 | 0.71 | — | — | |
| SCHEMBL175020 | 0.67 | — | — | |
| SCHEMBL4190147 | 0.67 | — | — | |
| SCHEMBL1118500 | 0.67 | — | — | |
| SCHEMBL1908172 | 0.67 | — | — | |
| SCHEMBL160815 | 0.67 | — | — | |
| SCHEMBL2629401 | 0.67 | — | — | |
| SCHEMBL6842336 | 0.67 | — | — | |
| SCHEMBL2373016 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100471846-C | Cyanoacrylate compounds and their application in pesticide | UNIV NANKAI (CN) | 2009-03-25 | — | — | CN | disclosed |
| CN-101020677-A | Cyanoacrylate compounds and their application in pesticide | UNIV NANKAI (CN) | 2007-08-22 | — | — | CN | disclosed |