⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4797916 | 1.00 | — | — | |
| SCHEMBL14290668 | 0.88 | CYP2E1 (0.34) | — | |
| SCHEMBL4845275 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL4845282 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL4796389 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL4796398 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL4153886 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL4153891 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL2432492 | 0.79 | NR1I2 (0.36) | — | |
| SCHEMBL2432488 | 0.79 | NR1I2 (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 |
|---|---|---|---|---|---|---|---|
| WO-2008125599-A1 | 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-23 | — | — | WO | disclosed |
| WO-2008125599-A1 | 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-23 | — | — | WO | disclosed |
| WO-2008017688-A1 | 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-14 | — | — | WO | disclosed |