⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9015773 | 0.79 | — | — | |
| SCHEMBL9130793 | 0.75 | — | — | |
| SCHEMBL9015760 | 0.73 | — | — | |
| SCHEMBL10049861 | 0.70 | — | — | |
| SCHEMBL30259668 | 0.69 | — | — | |
| SCHEMBL3268808 | 0.67 | — | — | |
| SCHEMBL25135366 | 0.66 | — | — | |
| SCHEMBL1446365 | 0.66 | — | — | |
| SCHEMBL16674836 | 0.65 | — | — | |
| SCHEMBL17169667 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743990-A1 | PREPARATION OF $i(F)-ALKYL $i(F)-ISOBUTYL ETHERS BY ELECTROCHEMICAL FLUORINATION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-11-27 | — | — | EP | disclosed |
| US-5474657-A | In an electrolytic cell | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-12-12 | — | — | US | disclosed |
| WO-1995021949-A1 | PREPARATION OF F-ALKYL F-ISOBUTYL ETHERS BY ELECTROCHEMICAL FLUORINATION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-08-17 | — | — | WO | disclosed |