⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5826257 | 1.00 | — | — | |
| SCHEMBL8083624 | 0.70 | — | — | |
| SCHEMBL23803966 | 0.67 | — | — | |
| SCHEMBL6515909 | 0.67 | — | — | |
| SCHEMBL15271719 | 0.67 | — | — | |
| SCHEMBL15271715 | 0.67 | — | — | |
| SCHEMBL15272534 | 0.63 | — | — | |
| Methyl Alcohol SCHEMBL27981001 | 0.63 | — | — | |
| SCHEMBL11028188 | 0.62 | — | — | |
| SCHEMBL8999407 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2006290896-A | NEW ESTERS DERIVED FROM 2,2-DIMETHYL-3-(3,3,3-TRIFLUORO-1-PROPENYL)-CYCLOPROPANE CARBOXYLIC ACID, METHOD FOR PRODUCING THE SAME AND ITS USE AS INSECT PEST CONTROL AGENT | HOECHST SCHERING AGREVO SA | 2006-10-26 | — | — | JP | disclosed |