⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8074585 | 0.94 | — | — | |
| SCHEMBL9130790 | 0.83 | — | — | |
| SCHEMBL620509 | 0.74 | — | — | |
| SCHEMBL4382561 | 0.72 | — | — | |
| SCHEMBL116416 | 0.71 | — | — | |
| SCHEMBL31197063 | 0.71 | — | — | |
| SCHEMBL11185096 | 0.71 | — | — | |
| SCHEMBL18113202 | 0.71 | — | — | |
| SCHEMBL2526224 | 0.71 | — | — | |
| SCHEMBL28729707 | 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 2 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 | claimed |
| WO-1995021949-A1 | PREPARATION OF F-ALKYL F-ISOBUTYL ETHERS BY ELECTROCHEMICAL FLUORINATION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-08-17 | — | — | WO | claimed |