⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10886322 | 1.00 | — | — | |
| SCHEMBL331850 | 1.00 | — | — | |
| SCHEMBL6818373 | 1.00 | — | — | |
| SCHEMBL13321126 | 1.00 | — | — | |
| SCHEMBL5523155 | 1.00 | — | — | |
| SCHEMBL12189864 | 1.00 | — | — | |
| SCHEMBL10886317 | 1.00 | — | — | |
| SCHEMBL13321206 | 1.00 | — | — | |
| SCHEMBL22456124 | 1.00 | — | — | |
| SCHEMBL22325470 | 1.00 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100130734-A1 | PROCESS FOR PREPARING CAPECITABINE | DR. REDDY'S LABORATORIES LTD. (IN) | 2010-05-27 | — | — | US | disclosed |
| EP-2164856-A1 | PROCESSES RELATED TO MAKING CAPECITABINE | Synthon B.V. (NL) | 2010-03-24 | — | — | EP | disclosed |
| US-20080300399-A1 | PROCESSES RELATED TO MAKING CAPECITABINE | SYNTHON BV (NL) | 2008-12-04 | — | — | US | disclosed |
| WO-2008145403-A1 | PROCESSES RELATED TO MAKING CAPECITABINE | SYNTHON B.V. (NL) | 2008-12-04 | — | — | WO | disclosed |
| WO-2008131062-A2 | PROCESS FOR PREPARING CAPECITABINE | DR. REDDY'S LABORATORIES LTD. (IN) | 2008-10-30 | — | — | WO | disclosed |