⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3036155 | 0.72 | POLB (0.53) | — | |
| SCHEMBL7524303 | 0.71 | — | — | |
| SCHEMBL7517906 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL979771 | 0.67 | — | — | |
| SCHEMBL11737370 | 0.67 | KMT2A (0.39) | — | |
| SCHEMBL7517596 | 0.64 | ALDH1A1 (0.54) | — | |
| SCHEMBL7525016 | 0.63 | KMT2A (0.38) | — | |
| SCHEMBL908245 | 0.62 | — | — | |
| SCHEMBL9427607 | 0.62 | — | — | |
| SCHEMBL20036913 | 0.62 | POLB (0.56) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101801913-B | Method for producing 4-aminobut-2-enolides | BAYER CROPSCIENCE AG | 2014-06-11 | — | — | CN | disclosed |
| EP-2253610-B1 | Method for manufacturing of enaminocarbonyl-compounds and their use in preparing 4-aminobut-2-enolids | BAYER CROPSCIENCE AG (DE) | 2013-11-20 | — | — | EP | disclosed |
| US-8487112-B2 | Method for producing 4-aminobut-2-enolides | BAYER CROPSCIENCE AG (DE) | 2013-07-16 | — | — | US | disclosed |
| EP-2253610-A1 | Method for manufacturing 4-aminobut-2-enolids | Bayer CropScience AG (DE) | 2010-11-24 | — | — | EP | disclosed |
| US-20100204480-A1 | METHOD FOR PRODUCING 4-AMINOBUT-2-ENOLIDES | BAYER CROPSCIENCE (DE) | 2010-08-12 | — | — | US | disclosed |
| EP-2203410-A1 | METHOD FOR PRODUCING 4-AMINOBUT-2-ENOLIDES | Bayer CropScience AG (DE) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009036898-A1 | METHOD FOR PRODUCING 4-AMINOBUT-2-ENOLIDES | BAYER CROPSCIENCE AG (DE) | 2009-03-26 | — | — | WO | disclosed |
| EP-2039678-A1 | Method for manufacturing 4-aminobut-2-enolids | Bayer CropScience AG (DE) | 2009-03-25 | — | — | EP | disclosed |