⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28818017 | 0.78 | — | — | |
| SCHEMBL1871230 | 0.76 | — | — | |
| SCHEMBL3465520 | 0.74 | — | — | |
| SCHEMBL15966793 | 0.72 | — | — | |
| SCHEMBL10979993 | 0.72 | TDP1 (0.35) | — | |
| SCHEMBL3556203 | 0.70 | — | — | |
| SCHEMBL6460560 | 0.69 | — | — | |
| SCHEMBL28542317 | 0.69 | PTGS1 (0.39) | — | |
| SCHEMBL1960262 | 0.69 | — | — | |
| SCHEMBL1342486 | 0.69 | CES2 (0.37) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7060712-B2 | Crystalline form of aryl aniline β2 adrenergic receptor agonist | THERAVANCE, INC. (US) | 2006-06-13 | — | — | US | claimed |
| US-20040224982-A1 | Crystalline form of aryl aniline beta-2 adrenergic receptor agonist | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-11-11 | — | — | US | claimed |
| EP-2755991-B1 | METHOD FOR PREPARATION OF BETULINIC ACID | STORA ENSO OYJ (FI) | 2018-05-16 | — | — | EP | disclosed |
| EP-2755991-A1 | METHOD FOR PREPARATION OF BETULINIC ACID | Stora Enso Oyj (FI) | 2014-07-23 | — | — | EP | disclosed |
| WO-2013038314-A1 | METHOD FOR PREPARATION OF BETULINIC ACID | STORA ENSO OYJ (FI) | 2013-03-21 | — | — | WO | disclosed |
| 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-20090120843-A1 | Filtration Apparatus and Method | CFD RESEARCH CORPORATION (US) | 2009-05-14 | — | — | 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 |
| 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 |