⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6522408 | 0.93 | — | — | |
| SCHEMBL4157177 | 0.85 | — | — | |
| SCHEMBL151774 | 0.75 | — | — | |
| SCHEMBL4304745 | 0.72 | — | — | |
| SCHEMBL958886 | 0.72 | — | — | |
| SCHEMBL1052042 | 0.68 | KDM1A (0.31) | — | |
| SCHEMBL7637193 | 0.68 | — | — | |
| SCHEMBL7637190 | 0.68 | — | — | |
| SCHEMBL7640090 | 0.68 | — | — | |
| SCHEMBL1052040 | 0.68 | KDM1A (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1802634-A2 | THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS | Compass Pharmaceuticals LLC (US) | 2007-07-04 | — | — | EP | claimed |
| WO-2006044826-A2 | THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS | COMPASS PHARMACEUTICALS LLC (US) | 2006-04-27 | — | — | WO | claimed |
| EP-1802634-A2 | THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS | Compass Pharmaceuticals LLC (US) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006044826-A2 | THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS | COMPASS PHARMACEUTICALS LLC (US) | 2006-04-27 | — | — | WO | disclosed |