⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7111729 | 0.95 | — | — | |
| SCHEMBL9852 | 0.95 | — | — | |
| Bromide SCHEMBL28366174 | 0.91 | — | — | |
| SCHEMBL2508332 | 0.91 | — | — | |
| SCHEMBL28211644 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL12492362 | 0.91 | — | — | |
| Water SCHEMBL525261 | 0.91 | — | — | |
| SCHEMBL18759839 | 0.91 | — | — | |
| SCHEMBL28100274 | 0.91 | — | — | |
| Fluoride SCHEMBL28237477 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105348048-B | A kind of method for preparing aryl trifluoro ethoxy ether compound | 东华大学 | 2017-12-22 | — | — | CN | disclosed |
| CN-105348048-A | Method for preparing aryl trifluoroethoxyl ether | NAT UNIV DONG HWA | 2016-02-24 | — | — | CN | disclosed |