⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3857959 | 1.00 | — | — | |
| SCHEMBL1507936 | 0.72 | — | — | |
| Butadiene SCHEMBL28451 | 0.63 | — | — | |
| Butadiene SCHEMBL2933701 | 0.63 | — | — | |
| Butadiene SCHEMBL43684 | 0.63 | — | — | |
| SCHEMBL125738 | 0.58 | — | — | |
| SCHEMBL9068679 | 0.58 | — | — | |
| SCHEMBL2884675 | 0.54 | — | — | |
| Hydrogen Sulfide SCHEMBL10809945 | 0.54 | — | — | |
| SCHEMBL19441184 | 0.54 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1622875-B1 | CRYSTALLINE FORMS OF AN ARYLANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST | THERAVANCE INC (US) | 2009-12-02 | — | — | EP | disclosed |
| EP-1641465-B1 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | THERAVANCE INC (US) | 2009-11-04 | — | — | EP | disclosed |
| US-7582765-B2 | Aryl aniline β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2009-09-01 | — | — | US | disclosed |
| US-20070225329-A1 | Aryl aniline beta2 adrenergic receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2007-09-27 | — | — | US | disclosed |
| US-7060712-B2 | Crystalline form of aryl aniline β2 adrenergic receptor agonist | THERAVANCE, INC. (US) | 2006-06-13 | — | — | US | disclosed |
| EP-1641465-A2 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | Theravance, Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| EP-1622875-A1 | CRYSTALLINE FORM OF ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST | Theravance, Inc. (US) | 2006-02-08 | — | — | EP | disclosed |
| WO-2005025555-A2 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | THERAVANCE, INC. (US) | 2005-03-24 | — | — | WO | disclosed |
| WO-2004101525-A1 | CRYSTALLINE FORM OF ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST | THERAVANCE, INC. (US) | 2004-11-25 | — | — | WO | disclosed |
| US-20040224982-A1 | Crystalline form of aryl aniline beta-2 adrenergic receptor agonist | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-11-11 | — | — | US | disclosed |
| US-20030229058-A1 | Aryl aniline beta2 adrenergic receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2003-12-11 | — | — | US | disclosed |