⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3411207 | 0.70 | — | — | |
| SCHEMBL1206398 | 0.70 | — | — | |
| SCHEMBL15387718 | 0.69 | PIK3CD (0.41) | — | |
| SCHEMBL25191103 | 0.65 | — | — | |
| SCHEMBL7688105 | 0.65 | — | — | |
| SCHEMBL16741211 | 0.65 | — | — | |
| SCHEMBL491292 | 0.65 | NT5E (0.33) | — | |
| SCHEMBL16742882 | 0.65 | — | — | |
| SCHEMBL1465377 | 0.65 | — | — | |
| SCHEMBL6134664 | 0.64 | MEN1 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2203410-B1 | METHOD FOR PRODUCING 4-AMINOBUT-2-ENOLIDES | BAYER CROPSCIENCE AG (DE) | 2014-03-26 | — | — | EP | claimed |
| US-6482947-B1 | Substituted (hetero) aryl compounds, process for their preparation, agents containing them and their use as safeners | HOECHST AKTIENGESELLSCHAFT (DE) | 2002-11-19 | — | — | US | claimed |
| US-20110300110-A1 | ENAMINOCARBONYL COMPOUND/BENEFICIAL ORGANISM COMBINATIONS | BAYER CROPSCIENCE AG (DE) | 2011-12-08 | — | — | US | disclosed |
| EP-2021344-A1 | BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS | Bayer CropScience AG (DE) | 2009-02-11 | — | — | EP | disclosed |
| WO-2007115647-A1 | BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2007-10-18 | — | — | WO | disclosed |