⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12883799 | 0.68 | EP300 (0.39) | — | |
| SCHEMBL12883801 | 0.65 | ALB (0.34) | — | |
| SCHEMBL7122663 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL7205824 | 0.64 | RAF1 (0.34) | — | |
| SCHEMBL4195089 | 0.61 | ALDH1A1 (0.52) | — | |
| SCHEMBL12883793 | 0.60 | EP300 (0.38) | — | |
| SCHEMBL2470522 | 0.59 | LMNA (0.39) | — | |
| SCHEMBL7062249 | 0.58 | ALB (0.35) | — | |
| SCHEMBL21252605 | 0.58 | ALDH1A1 (0.47) | — | |
| SCHEMBL12883796 | 0.57 | EP300 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1060183-B1 | 5'-DEOXYCYTIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-04-23 | — | — | EP | disclosed |
| EP-1060183-A1 | 5'-DEOXYCYTIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999040099-A1 | 5'-DEOXYCYTIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-08-12 | — | — | WO | disclosed |