⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL271287 | 0.79 | — | — | |
| SCHEMBL4675072 | 0.71 | — | — | |
| SCHEMBL15062199 | 0.71 | — | — | |
| SCHEMBL3040185 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL12345413 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL3035065 | 0.71 | — | — | |
| SCHEMBL3041574 | 0.71 | TDP1 (0.37) | — | |
| SCHEMBL3038652 | 0.70 | — | — | |
| SCHEMBL3045134 | 0.69 | — | — | |
| SCHEMBL3030350 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100216736-A2 | 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2010-08-26 | — | — | US | disclosed |
| US-20100056466-A1 | 2'-Cyanopyrimidine Nucleoside Compound | MATSUDA, AKIRA (JP) | 2010-03-04 | — | — | US | disclosed |
| EP-2045256-A1 | 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND | TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) | 2009-04-08 | — | — | EP | disclosed |