⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL252814 | 0.79 | — | — | |
| SCHEMBL20274342 | 0.78 | CES2 (0.31) | — | |
| SCHEMBL2442066 | 0.77 | — | — | |
| SCHEMBL2442068 | 0.77 | — | — | |
| SCHEMBL20274344 | 0.74 | — | — | |
| SCHEMBL20274345 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL20274338 | 0.72 | CES2 (0.31) | — | |
| SCHEMBL525831 | 0.71 | — | — | |
| SCHEMBL21181027 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL27698539 | 0.71 | — | — |
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 |