⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL962467 | 1.00 | — | — | |
| SCHEMBL962080 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL384029 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL314718 | 0.97 | — | — | |
| Iodide SCHEMBL3088722 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL382834 | 0.97 | — | — | |
| SCHEMBL11827188 | 0.81 | — | — | |
| SCHEMBL14275846 | 0.79 | — | — | |
| SCHEMBL7203154 | 0.79 | — | — | |
| SCHEMBL384354 | 0.79 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160264544-A1 | Tetrahydrothiophene-based GABA Aminotransferase Inactivators | NORTHWESTERN UNIVERSITY | 2016-09-15 | — | — | US | disclosed |
| EP-1871772-B1 | QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE INC (US) | 2014-09-10 | — | — | EP | disclosed |
| US-7875629-B2 | minimal side effects, improved selectivity, potency, pharmacokinetics, and/or duration of action; 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[3-(4-methanesulfonylpiperazine-1-sulfonyl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; reduced motility of the gastrointestinal tract | THERAVANCE, INC. (US) | 2011-01-25 | — | — | US | disclosed |
| EP-1902053-B1 | BENZOIMIDAZOLONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE INC (US) | 2011-01-12 | — | — | EP | disclosed |
| US-7851467-B2 | Carbamate compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2010-12-14 | — | — | US | disclosed |
| US-7772239-B2 | Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2010-08-10 | — | — | US | disclosed |
| EP-1960396-B1 | CARBAMATE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE INC (US) | 2009-11-11 | — | — | EP | disclosed |
| US-20090036483-A1 | QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-02-05 | — | — | US | disclosed |
| US-7446114-B2 | Quinolinone compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2008-11-04 | — | — | US | disclosed |
| US-20080090811-A1 | Carbamate compounds as 5-HT4 receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-04-17 | — | — | US | disclosed |
| US-20080070923-A1 | Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-03-20 | — | — | US | disclosed |
| US-7329752-B2 | Carbamate compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2008-02-12 | — | — | US | disclosed |
| US-7317022-B2 | Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists | THERAVANCE, INC. (US) | 2008-01-08 | — | — | US | disclosed |
| US-20070117796-A1 | Carbamate compounds as 5-HT4 receptor agonists | THERAVANCE, INC. | 2007-05-24 | — | — | US | disclosed |
| US-20060276482-A1 | Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists | THERAVANCE, INC. | 2006-12-07 | — | — | US | disclosed |
| US-20060199839-A1 | Quinolinone compounds as 5-HT4 receptor agonists | THERAVANCE, INC. | 2006-09-07 | — | — | US | disclosed |