⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10656536 | 0.82 | — | — | |
| SCHEMBL13668753 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL109110 | 0.75 | — | — | |
| SCHEMBL1923143 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL31509462 | 0.73 | — | — | |
| SCHEMBL108766 | 0.73 | — | — | |
| SCHEMBL25083774 | 0.71 | — | — | |
| SCHEMBL19883375 | 0.71 | — | — | |
| SCHEMBL13806559 | 0.71 | — | — | |
| SCHEMBL28830174 | 0.71 | ALDH1A1 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050288376-A1 | Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides | SMITHKLINE BEECHAM PLC | 2005-12-29 | — | — | US | disclosed |
| EP-1549278-A4 | M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LTD (GB) | 2005-12-14 | — | — | EP | disclosed |
| EP-1549278-A2 | M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004012684-A2 | M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2004-02-12 | — | — | WO | disclosed |
| US-20040024066-A1 | Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-02-05 | — | — | US | disclosed |