⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1655389 | 0.92 | — | — | |
| SCHEMBL21436319 | 0.78 | — | — | |
| SCHEMBL18729654 | 0.72 | — | — | |
| SCHEMBL11519071 | 0.70 | — | — | |
| SCHEMBL19512239 | 0.70 | — | — | |
| SCHEMBL3955362 | 0.69 | CA1 (0.39) | — | |
| SCHEMBL3957270 | 0.69 | CA1 (0.39) | — | |
| SCHEMBL3955331 | 0.69 | CA1 (0.39) | — | |
| SCHEMBL18419296 | 0.67 | — | — | |
| SCHEMBL993368 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0773939-B1 | DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | UNIV VANDERBILT (US) | 2008-02-06 | — | — | EP | disclosed |