⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3031816 | 0.89 | — | — | |
| SCHEMBL3039593 | 0.80 | METAP1 (0.33) | — | |
| SCHEMBL94561 | 0.77 | — | — | |
| SCHEMBL3039899 | 0.77 | — | — | |
| SCHEMBL3043226 | 0.76 | — | — | |
| SCHEMBL3043071 | 0.75 | METAP1 (0.31) | — | |
| SCHEMBL3036214 | 0.75 | — | — | |
| SCHEMBL55490 | 0.74 | — | — | |
| SCHEMBL3041309 | 0.72 | — | — | |
| SCHEMBL7253821 | 0.72 | — | — |
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 |