⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3819567 | 0.77 | — | — | |
| SCHEMBL3831708 | 0.73 | — | — | |
| SCHEMBL3622811 | 0.72 | — | — | |
| SCHEMBL3835810 | 0.70 | — | — | |
| SCHEMBL3834527 | 0.70 | — | — | |
| SCHEMBL25470 | 0.68 | KDM4E (0.32) | — | |
| SCHEMBL132253 | 0.67 | — | — | |
| SCHEMBL129444 | 0.67 | — | — | |
| SCHEMBL20061 | 0.67 | — | — | |
| SCHEMBL23844 | 0.67 | MAPT (0.55) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |