⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12930187 | 1.00 | — | — | |
| SCHEMBL13941423 | 0.77 | — | — | |
| SCHEMBL7598892 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL20695753 | 0.76 | LGALS1 (0.39) | — | |
| SCHEMBL12899685 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL18805882 | 0.76 | LGALS1 (0.39) | — | |
| SCHEMBL18805884 | 0.76 | LGALS1 (0.39) | — | |
| SCHEMBL18805911 | 0.76 | LGALS1 (0.39) | — | |
| SCHEMBL12899652 | 0.76 | LGALS1 (0.39) | — | |
| SCHEMBL12930219 | 0.76 | LGALS1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7884202-B2 | Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals | TOSOH CORPORATION (JP) | 2011-02-08 | — | — | US | disclosed |