⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18068277 | 1.00 | — | — | |
| SCHEMBL14198445 | 0.78 | — | — | |
| SCHEMBL18618088 | 0.77 | — | — | |
| SCHEMBL14219857 | 0.74 | — | — | |
| SCHEMBL13488644 | 0.74 | — | — | |
| SCHEMBL12344213 | 0.72 | SPHK2 (0.43) | — | |
| SCHEMBL14198732 | 0.70 | — | — | |
| SCHEMBL11682433 | 0.70 | — | — | |
| SCHEMBL2048005 | 0.69 | TRPA1 (0.42) | — | |
| SCHEMBL214445 | 0.69 | — | — |
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-1446375-B1 | DIHALOGENPROPENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AS PEST CONTROL AGENTS | BAYER CROPSCIENCE SA (FR) | 2008-05-14 | — | — | EP | disclosed |