⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5730705 | 0.71 | — | — | |
| SCHEMBL2240230 | 0.60 | — | — | |
| SCHEMBL4122661 | 0.57 | — | — | |
| SCHEMBL4421364 | 0.57 | — | — | |
| SCHEMBL4947000 | 0.56 | — | — | |
| SCHEMBL4316689 | 0.54 | — | — | |
| SCHEMBL15389329 | 0.50 | — | — | |
| SCHEMBL6395080 | 0.50 | — | — | |
| SCHEMBL8072443 | 0.48 | — | — | |
| SCHEMBL5075375 | 0.43 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140018377-A1 | Aminopropenoates as Fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-16 | — | — | US | disclosed |
| US-8476197-B2 | Aminopropenoates as fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-07-02 | — | — | US | disclosed |
| US-20110152322-A1 | Aminopropenoates as Fungicides | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | US | disclosed |