⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9885986 | 0.77 | — | — | |
| SCHEMBL19191005 | 0.76 | MAPT (0.30) | — | |
| SCHEMBL19192075 | 0.75 | MAPT (0.31) | — | |
| SCHEMBL19191007 | 0.74 | — | — | |
| SCHEMBL9885987 | 0.71 | MEN1 (0.31) | — | |
| SCHEMBL19191869 | 0.70 | — | — | |
| SCHEMBL14961340 | 0.68 | — | — | |
| SCHEMBL14961371 | 0.67 | — | — | |
| SCHEMBL13242328 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL14961408 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2094633-B1 | HYDROFLUOROETHER COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE | 3M INNOVATIVE PROPERTIES CO (US) | 2017-08-02 | — | — | EP | disclosed |