⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5779360 | 1.00 | — | — | |
| SCHEMBL910902 | 0.72 | — | — | |
| SCHEMBL27625358 | 0.71 | — | — | |
| SCHEMBL23392479 | 0.66 | — | — | |
| SCHEMBL24259872 | 0.64 | — | — | |
| SCHEMBL27780496 | 0.62 | — | — | |
| SCHEMBL27493972 | 0.62 | — | — | |
| SCHEMBL23036737 | 0.61 | — | — | |
| SCHEMBL27371190 | 0.61 | — | — | |
| SCHEMBL27260944 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1635840-A1 | THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS | Solvay Pharmaceuticals B.V. (NL) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004110459-A1 | THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS | SOLVAY PHARMACEUTICALS B.V. (NL) | 2004-12-23 | — | — | WO | disclosed |