⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7083238 | 0.82 | — | — | |
| SCHEMBL7843510 | 0.69 | — | — | |
| SCHEMBL7130267 | 0.69 | — | — | |
| SCHEMBL11044129 | 0.68 | — | — | |
| SCHEMBL1155353 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL788277 | 0.67 | — | — | |
| SCHEMBL1960557 | 0.67 | — | — | |
| SCHEMBL8521480 | 0.66 | — | — | |
| SCHEMBL1533440 | 0.65 | — | — | |
| SCHEMBL6403970 | 0.65 | — | — |
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-0901483-B1 | BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS | GLAXO GROUP LTD (GB) | 2003-07-09 | — | — | EP | disclosed |
| US-5981572-A | Benzofurans and benzopyrans as chronobiological agents | GLAXO WELLCOME INC. (US) | 1999-11-09 | — | — | US | disclosed |
| EP-0901483-A2 | BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS | GLAXO GROUP LIMITED (GB) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997043272-A2 | BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS | GLAXO GROUP LIMITED (GB) | 1997-11-20 | — | — | WO | disclosed |