⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4653046 | 0.85 | — | — | |
| SCHEMBL5984673 | 0.82 | — | — | |
| SCHEMBL11061740 | 0.74 | — | — | |
| SCHEMBL1484068 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL3246553 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL20637058 | 0.69 | — | — | |
| SCHEMBL9630269 | 0.69 | — | — | |
| SCHEMBL1109970 | 0.69 | — | — | |
| SCHEMBL82969 | 0.67 | — | — | |
| SCHEMBL585568 | 0.67 | — | — |
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 |