⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13376155 | 0.78 | DNMT1 (0.32) | — | |
| SCHEMBL17106788 | 0.78 | STING1 (0.32) | — | |
| SCHEMBL17106686 | 0.77 | STING1 (0.32) | — | |
| SCHEMBL12222455 | 0.77 | KMT2A (0.41) | — | |
| SCHEMBL12352443 | 0.77 | KMT2A (0.41) | — | |
| SCHEMBL10459678 | 0.74 | — | — | |
| SCHEMBL22758822 | 0.74 | ATG7 (0.37) | — | |
| SCHEMBL29674494 | 0.69 | PRMT6 (0.40) | — | |
| SCHEMBL20345420 | 0.69 | — | — | |
| SCHEMBL1797063 | 0.68 | TYMP (0.32) | — |
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 2 patents. 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 |
| US-20090124796-A1 | Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same | TOSOH CORPORATION (JP) | 2009-05-14 | — | — | US | disclosed |