⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31370871 | 0.72 | — | — | |
| SCHEMBL17934032 | 0.71 | KDM1A (0.30) | — | |
| SCHEMBL6645548 | 0.70 | PSMD14 (0.38) | — | |
| SCHEMBL7133571 | 0.69 | HTR2C (0.31) | — | |
| SCHEMBL14927154 | 0.68 | MEN1 (0.33) | — | |
| SCHEMBL23085145 | 0.63 | NOX1 (0.44) | — | |
| SCHEMBL30928004 | 0.63 | NOX1 (0.44) | — | |
| SCHEMBL798117 | 0.63 | NOX1 (0.44) | — | |
| SCHEMBL30173375 | 0.63 | NOX1 (0.39) | — | |
| SCHEMBL13039113 | 0.61 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0879231-B1 | DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | UNIV VANDERBILT (US) | 2004-09-22 | — | — | EP | disclosed |
| EP-0891346-B1 | DIHYDROBENZOFURAN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | UNIV VANDERBILT (US) | 2004-05-12 | — | — | EP | disclosed |
| EP-0904272-B1 | DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | UNIV VANDERBILT (US) | 2003-04-09 | — | — | EP | disclosed |