⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1013574 | 0.77 | — | — | |
| SCHEMBL24300741 | 0.72 | — | — | |
| SCHEMBL5536035 | 0.72 | GABRP (0.34) | — | |
| SCHEMBL12688265 | 0.70 | — | — | |
| SCHEMBL14003895 | 0.69 | NR1I2 (0.36) | — | |
| SCHEMBL4092407 | 0.69 | KDM4E (0.44) | — | |
| SCHEMBL2621003 | 0.69 | — | — | |
| SCHEMBL23528 | 0.68 | — | — | |
| SCHEMBL12183397 | 0.67 | GABRP (0.31) | — | |
| SCHEMBL23640953 | 0.67 | GABRP (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011135046-A1 | CYCLIC CARBONYL COMPOUNDS WITH PENDANT PENTAFLUOROPHENYL CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2011-11-03 | — | — | WO | disclosed |