⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4166487 | 0.77 | — | — | |
| SCHEMBL28700224 | 0.76 | — | — | |
| SCHEMBL29431938 | 0.76 | — | — | |
| SCHEMBL14565274 | 0.74 | — | — | |
| SCHEMBL19120916 | 0.72 | — | — | |
| SCHEMBL19121218 | 0.72 | ROCK2 (0.32) | — | |
| SCHEMBL9278566 | 0.72 | — | — | |
| SCHEMBL19121494 | 0.72 | ROCK2 (0.34) | — | |
| SCHEMBL8895901 | 0.72 | INMT (0.31) | — | |
| SCHEMBL8896203 | 0.72 | INMT (0.31) | — |
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-7534889-B2 | For reduced motility of gastrointestinal tract; irritable bowel syndrome (IBS), chronic constipation, dyspepsia, reflux disease; 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid ((1S,3R,5R)-8-{3-[(2-ethylsulfanylethyl)methanesulfonylamino]-2-hydroxypropyl}-8-aza-bicyclo[3.2.1]oct-3-yl)amide | THERAVANCE, INC. (US) | 2009-05-19 | — | — | US | disclosed |
| US-20080255187-A1 | 5-HT4 RECEPTOR AGONIST COMPOUNDS | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-10-16 | — | — | US | disclosed |
| EP-1181274-A4 | IMINOCYCLITOL INHIBITORS OF HEXOAMINIDASE AND GLYCOSIDASE | SCRIPPS RESEARCH INST (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-1181274-A1 | IMINOCYCLITOL INHIBITORS OF HEXOAMINIDASE AND GLYCOSIDASE | The Scripps Research Institute (US) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000068194-A1 | IMINOCYCLITOL INHIBITORS OF HEXOAMINIDASE AND GLYCOSIDASE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2000-11-16 | — | — | WO | disclosed |