⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3935639 | 0.70 | — | — | |
| SCHEMBL1422363 | 0.68 | — | — | |
| SCHEMBL286319 | 0.67 | NUDT1 (0.33) | — | |
| SCHEMBL4067151 | 0.67 | — | — | |
| SCHEMBL3936290 | 0.65 | — | — | |
| SCHEMBL3942457 | 0.65 | EGFR (0.35) | — | |
| SCHEMBL298809 | 0.62 | SIGMAR1 (0.30) | — | |
| SCHEMBL3934308 | 0.62 | — | — | |
| SCHEMBL2269251 | 0.62 | EGFR (0.37) | — | |
| SCHEMBL3933123 | 0.62 | — | — |
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 |