⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL177791 | 0.82 | HCAR2 (0.30) | — | |
| SCHEMBL1499394 | 0.82 | — | — | |
| SCHEMBL601222 | 0.78 | — | — | |
| SCHEMBL602245 | 0.78 | — | — | |
| SCHEMBL17103398 | 0.75 | — | — | |
| SCHEMBL20583806 | 0.74 | — | — | |
| SCHEMBL15482389 | 0.74 | — | — | |
| SCHEMBL177570 | 0.73 | KIF11 (0.31) | — | |
| SCHEMBL2067311 | 0.71 | NR1H2 (0.30) | — | |
| SCHEMBL20583748 | 0.70 | CYP2B6 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1638962-A2 | SUBSTITUTED OXYARENES UND DEREN VERWENDUNG ZUR BEKÄMPFUNG VON SCHÄDLINGEN | Bayer CropScience AG (DE) | 2006-03-29 | — | — | EP | disclosed |
| WO-2004099197-A2 | SUBSTITUTED OXYARENES, AND USE THEREOF FOR CONTROLLING PESTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2004-11-18 | — | — | WO | disclosed |