⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6949180 | 1.00 | — | — | |
| SCHEMBL6949183 | 1.00 | — | — | |
| SCHEMBL6948653 | 0.81 | — | — | |
| SCHEMBL6948659 | 0.81 | — | — | |
| SCHEMBL6954758 | 0.74 | PTPN1 (0.40) | — | |
| SCHEMBL6945004 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL6949118 | 0.71 | CYP2A6 (0.31) | — | |
| SCHEMBL6949125 | 0.71 | CYP2A6 (0.31) | — | |
| SCHEMBL17843510 | 0.70 | CYP1A2 (0.39) | — | |
| SCHEMBL11364920 | 0.67 | ENPP2 (0.33) | — |
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 |