⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5461486 | 0.87 | — | — | |
| SCHEMBL3413720 | 0.85 | — | — | |
| SCHEMBL4207893 | 0.85 | SLC6A2 (0.30) | — | |
| SCHEMBL2977684 | 0.85 | CARM1 (0.34) | — | |
| SCHEMBL2978122 | 0.85 | CARM1 (0.34) | — | |
| SCHEMBL3258472 | 0.84 | — | — | |
| SCHEMBL2985550 | 0.83 | — | — | |
| SCHEMBL2913695 | 0.83 | — | — | |
| SCHEMBL17162469 | 0.83 | — | — | |
| SCHEMBL17162480 | 0.83 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1807422-B1 | 5-HT4 RECEPTOR AGONIST COMPOUNDS | THERAVANCE INC (US) | 2009-09-02 | — | — | EP | disclosed |
| US-20090131304-A1 | Semi-Synthetic Desmethyl-Vancomycin-Based Glycopeptides With Antibiotic Activity | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2009-05-21 | — | — | US | disclosed |
| 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 |
| US-7399862-B2 | 5-HT4 receptor agonist compounds | THERAVANCE, INC. (US) | 2008-07-15 | — | — | US | disclosed |
| EP-1868630-A2 | SEMI-SYNTHETIC DESMETHYL-VANCOMYCIN-BASED GLYCOPEPTIDES WITH ANTIBIOTIC ACTIVITY | Novartis Vaccines and Diagnostics, Inc. (US) | 2007-12-26 | — | — | EP | disclosed |
| US-20070185015-A1 | Semi-synthetic desmethyl-vancomycin-based glycopeptides with antibiotic activity | Chiron Corporation and North China Pharmaceutical Corporation | 2007-08-09 | — | — | US | disclosed |
| WO-2006094082-A2 | SEMI-SYNTHETIC DESMETHYL-VANCOMYCIN-BASED GLYCOPEPTIDES WITH ANTIBIOTIC ACTIVITY | NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) | 2006-09-08 | — | — | WO | disclosed |