⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3936146 | 0.83 | — | — | |
| SCHEMBL3942482 | 0.72 | — | — | |
| SCHEMBL454592 | 0.71 | — | — | |
| SCHEMBL275923 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL6120009 | 0.70 | LOXL2 (0.31) | — | |
| SCHEMBL3619220 | 0.70 | — | — | |
| SCHEMBL29197317 | 0.68 | — | — | |
| SCHEMBL81622 | 0.68 | — | — | |
| SCHEMBL88806 | 0.67 | CLK1 (0.40) | — | |
| SCHEMBL29600545 | 0.67 | CLK1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009010156-A2 | SUBSTITUTED PHENYLPROPOARGYL COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF SAME AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2009-01-22 | — | — | WO | disclosed |
| EP-2017264-A1 | Substituted phenyl propargyl compounds, method for their manufacture and their use as herbicides and plant growth regulators | BAYER CROPSCIENCE AG (DE) | 2009-01-21 | — | — | EP | disclosed |