⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6905406 | 1.00 | — | — | |
| SCHEMBL6905403 | 1.00 | — | — | |
| SCHEMBL7120485 | 0.80 | — | — | |
| SCHEMBL17213406 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL282935 | 0.74 | — | — | |
| SCHEMBL22272013 | 0.74 | — | — | |
| SCHEMBL282934 | 0.74 | — | — | |
| SCHEMBL284187 | 0.74 | — | — | |
| SCHEMBL6595766 | 0.74 | — | — | |
| SCHEMBL7126085 | 0.73 | TSHR (0.39) | — |
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-1131270-A1 | PROCESS FOR CONVERTING AN ALCOHOL TO THE CORRESPONDING FLUORIDE | 3M Innovative Properties Company (US) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000031003-A1 | PROCESS FOR CONVERTING AN ALCOHOL TO THE CORRESPONDING FLUORIDE | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2000-06-02 | — | — | WO | disclosed |