⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19504228 | 0.85 | — | — | |
| SCHEMBL12743911 | 0.83 | — | — | |
| SCHEMBL4985908 | 0.78 | — | — | |
| SCHEMBL19451440 | 0.75 | — | — | |
| SCHEMBL19101876 | 0.74 | — | — | |
| SCHEMBL7859394 | 0.71 | — | — | |
| SCHEMBL5957209 | 0.71 | — | — | |
| SCHEMBL87734 | 0.69 | — | — | |
| SCHEMBL10536474 | 0.69 | — | — | |
| SCHEMBL17929604 | 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 |
|---|---|---|---|---|---|---|---|
| CN-1140475-A | Electrochemical fluorination process for preparing F-alkyl F-isobutyl ethers | MINNESOTA MINING & MFG (US) | 1997-01-15 | — | — | CN | disclosed |