⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25053973 | 1.00 | — | — | |
| SCHEMBL24867899 | 0.69 | — | — | |
| SCHEMBL19557136 | 0.68 | — | — | |
| SCHEMBL16748400 | 0.66 | — | — | |
| SCHEMBL10073908 | 0.66 | — | — | |
| SCHEMBL17055166 | 0.66 | — | — | |
| SCHEMBL24435757 | 0.64 | — | — | |
| SCHEMBL24435728 | 0.64 | — | — | |
| SCHEMBL25053934 | 0.62 | — | — | |
| SCHEMBL24868509 | 0.62 | — | — |
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-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 |