⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18427027 | 0.85 | — | — | |
| SCHEMBL19592950 | 0.80 | KDM4E (0.35) | — | |
| SCHEMBL21718625 | 0.80 | — | — | |
| SCHEMBL803208 | 0.79 | ADORA2A (0.31) | — | |
| SCHEMBL18427007 | 0.79 | GAA (0.35) | — | |
| SCHEMBL12872368 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL18427112 | 0.70 | GAA (0.32) | — | |
| SCHEMBL18427005 | 0.68 | — | — | |
| SCHEMBL19491725 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL805436 | 0.67 | SMN1; SMN2 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8318777-B2 | 2-pyridinylethylcarboxamide derivatives and their use as fungicides | BAYER SAS (FR) | 2012-11-27 | — | — | US | disclosed |
| US-8318777-B2 | 2-pyridinylethylcarboxamide derivatives and their use as fungicides | BAYER SAS (FR) | 2012-11-27 | — | — | US | disclosed |
| US-20090088456-A1 | 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides | BAYER CROPSCIENCE S.A. | 2009-04-02 | — | — | US | disclosed |
| US-20090088456-A1 | 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides | BAYER CROPSCIENCE S.A. | 2009-04-02 | — | — | US | disclosed |
| US-20070117845-A1 | 2-Pyridinylethylcarboxamide derivatives and their use as fungicides | BAYER CROPSCIENCE S.A. (FR) | 2007-05-24 | — | — | US | disclosed |
| US-20070117845-A1 | 2-Pyridinylethylcarboxamide derivatives and their use as fungicides | BAYER CROPSCIENCE S.A. (FR) | 2007-05-24 | — | — | US | disclosed |