⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13493420 | 0.87 | IRAK4 (0.31) | — | |
| SCHEMBL12058157 | 0.87 | PTPN11 (0.32) | — | |
| SCHEMBL12057987 | 0.80 | PTPN11 (0.32) | — | |
| SCHEMBL12058492 | 0.79 | IRAK4 (0.30) | — | |
| SCHEMBL12058431 | 0.78 | CRHR1 (0.34) | — | |
| SCHEMBL12057756 | 0.77 | — | — | |
| SCHEMBL12038198 | 0.76 | IRAK4 (0.43) | — | |
| SCHEMBL12058185 | 0.75 | VCP (0.34) | — | |
| SCHEMBL13493704 | 0.74 | IRAK4 (0.36) | — | |
| SCHEMBL13493633 | 0.74 | IRAK4 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110318305-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | MERCK SHARP & DOHME LLC | 2011-12-29 | — | — | US | disclosed |
| WO-2010022121-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | SCHERING CORPORATION (US) | 2010-02-25 | — | — | WO | disclosed |