⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1324976 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28893452 | 0.70 | — | — | |
| SCHEMBL467803 | 0.70 | — | — | |
| SCHEMBL9064102 | 0.67 | — | — | |
| SCHEMBL9064099 | 0.67 | — | — | |
| SCHEMBL10615155 | 0.57 | — | — | |
| SCHEMBL31375454 | 0.56 | — | — | |
| SCHEMBL467719 | 0.56 | — | — | |
| SCHEMBL11145772 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL533784 | 0.53 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8058261-B2 | 3′-ethynylcytidine derivative | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2011-11-15 | — | — | US | disclosed |
| EP-2045258-B1 | 3'-ETHYNYLCYTIDINE DERIVATIVE | TAIHO PHARMACEUTICAL CO LTD (JP) | 2011-09-21 | — | — | EP | disclosed |
| US-7825103-B2 | 5'-O-triisopropylsilyl-2'-cyano-2'-deoxy-1- beta -D-arabinofuranosylcytosine; antitumor agents | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2010-11-02 | — | — | US | disclosed |
| US-20090306008-A1 | 3'-ETHYNYLCYTIDINE DERIVATIVE | Sasaki, Takuma (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20090118222-A1 | NOVEL PYRIMIDINE NUCLEOSIDE COMPOUND OR ITS SALT | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2009-05-07 | — | — | US | disclosed |
| EP-2045258-A1 | 3'-ETHYNYLCYTIDINE DERIVATIVE | Taiho Pharmaceutical Co., Ltd. (JP) | 2009-04-08 | — | — | EP | disclosed |
| EP-1845102-A1 | NOVEL PYRIMIDINE NUCLEOSIDE COMPOUND OR ITS SALT | TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-10-17 | — | — | EP | disclosed |