⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL332659 | 0.77 | — | — | |
| SCHEMBL332658 | 0.77 | — | — | |
| SCHEMBL20274335 | 0.74 | — | — | |
| SCHEMBL20274344 | 0.72 | — | — | |
| SCHEMBL16115933 | 0.71 | — | — | |
| SCHEMBL21180736 | 0.71 | — | — | |
| SCHEMBL12762073 | 0.71 | — | — | |
| SCHEMBL20047566 | 0.65 | ACLY (0.39) | — | |
| SCHEMBL1532015 | 0.65 | — | — | |
| SCHEMBL24896841 | 0.62 | — | — |
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-3024810-B1 | NITROGEN CONTAINING HYDROFLUOROETHERS AND METHODS OF MAKING SAME | 3M INNOVATIVE PROPERTIES CO (US) | 2018-06-20 | — | — | EP | disclosed |