⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3934211 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL8879 | 0.71 | GPR3 (0.35) | — | |
| SCHEMBL298809 | 0.67 | SIGMAR1 (0.30) | — | |
| SCHEMBL4054204 | 0.67 | — | — | |
| SCHEMBL857349 | 0.67 | EGFR (0.32) | — | |
| SCHEMBL16717216 | 0.64 | CLK1 (0.34) | — | |
| SCHEMBL3897125 | 0.64 | CLK1 (0.32) | — | |
| SCHEMBL1284991 | 0.61 | PDE3B (0.35) | — | |
| SCHEMBL3933228 | 0.61 | — | — | |
| SCHEMBL29599750 | 0.61 | PDE3B (0.35) | — |
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 |