⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13493691 | 0.88 | CCNT1 (0.30) | — | |
| SCHEMBL12058119 | 0.87 | IRAK4 (0.35) | — | |
| SCHEMBL12057682 | 0.86 | PTGES (0.31) | — | |
| SCHEMBL13493670 | 0.86 | EHMT2 (0.31) | — | |
| SCHEMBL12037915 | 0.86 | IRAK4 (0.38) | — | |
| SCHEMBL12058369 | 0.86 | — | — | |
| SCHEMBL12058368 | 0.82 | ESR1 (0.31) | — | |
| SCHEMBL12057912 | 0.79 | — | — | |
| SCHEMBL12058381 | 0.78 | ESR1 (0.31) | — | |
| SCHEMBL12057832 | 0.78 | ESR1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010022121-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | SCHERING CORPORATION (US) | 2010-02-25 | — | — | WO | disclosed |