⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2671224 | 0.93 | — | — | |
| SCHEMBL9316648 | 0.92 | — | — | |
| SCHEMBL6901341 | 0.84 | — | — | |
| SCHEMBL9225317 | 0.83 | — | — | |
| SCHEMBL22733752 | 0.81 | — | — | |
| SCHEMBL29701244 | 0.78 | — | — | |
| SCHEMBL28730863 | 0.77 | — | — | |
| Bicarbonate SCHEMBL8614251 | 0.77 | ADORA3 (0.32) | — | |
| Bicarbonate SCHEMBL27486085 | 0.77 | ADORA3 (0.32) | — | |
| SCHEMBL2197541 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0590031-A1 | PERFLUORO CYCLIC POLYETHERS USEFUL AS LUBRICANTS AND HEAT TRANSFER FLUIDS. | DU PONT (US) | 1994-04-06 | — | — | EP | disclosed |
| WO-1992022547-A1 | PERFLUORO CYCLIC POLYETHERS USEFUL AS LUBRICANTS AND HEAT TRANSFER FLUIDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-12-23 | — | — | WO | disclosed |
| WO-1991018859-A1 | FUNCTIONALIZED TRIFLUOROVINYL ETHERS AND POLYMERS THEREFROM | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-12-12 | — | — | WO | disclosed |