⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL286948 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL3943448 | 0.71 | — | — | |
| SCHEMBL219949 | 0.71 | PKM (0.33) | — | |
| SCHEMBL3943197 | 0.67 | — | — | |
| SCHEMBL3937245 | 0.67 | — | — | |
| SCHEMBL3931050 | 0.65 | — | — | |
| SCHEMBL298809 | 0.65 | SIGMAR1 (0.30) | — | |
| SCHEMBL17511854 | 0.64 | NQO2 (0.41) | — | |
| SCHEMBL3627100 | 0.62 | — | — | |
| SCHEMBL3934900 | 0.61 | — | — |
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 |