⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2434279 | 1.00 | — | — | |
| SCHEMBL4796274 | 0.88 | KDM4E (0.31) | — | |
| SCHEMBL4796290 | 0.88 | KDM4E (0.31) | — | |
| SCHEMBL2434817 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL2434814 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL2427752 | 0.84 | KDM4E (0.33) | — | |
| SCHEMBL2427754 | 0.84 | KDM4E (0.33) | — | |
| SCHEMBL2435345 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL2435350 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL2433828 | 0.84 | POLB (0.32) | — |
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-2086966-B1 | 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2011-09-14 | — | — | EP | disclosed |
| US-20090274655-A1 | 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION | 2009-11-05 | — | — | US | disclosed |