⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1205433 | 0.85 | ADRB2 (0.31) | — | |
| SCHEMBL828863 | 0.76 | ADRB2 (0.38) | — | |
| SCHEMBL2569901 | 0.76 | ADRB2 (0.38) | — | |
| SCHEMBL27545534 | 0.76 | HIF1A (0.31) | — | |
| SCHEMBL27545535 | 0.73 | — | — | |
| SCHEMBL9574119 | 0.72 | ADRB2 (0.36) | — | |
| SCHEMBL2012341 | 0.71 | NFKB1 (0.41) | — | |
| SCHEMBL1205580 | 0.71 | NFKB1 (0.41) | — | |
| SCHEMBL1204929 | 0.71 | NFKB1 (0.41) | — | |
| SCHEMBL5028104 | 0.70 | UGT2B7 (0.35) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023097696-A1 | METHOD FOR SYNTHESIZING (1R)-1-(2,2-DIMETHYL-4H-1,3-BENZODIOXIN-6-YL)-2-NITROETHANOL | 广东莱佛士制药技术有限公司 | 2023-06-08 | — | — | WO | disclosed |
| US-7442719-B2 | Methods using phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2008-10-28 | — | — | US | disclosed |
| US-7442837-B2 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2008-10-28 | — | — | US | disclosed |
| US-7442836-B2 | Prophylaxis of respiratory disorders and therapy, also metod of synthesis and composition with PDE4 inhibitor, corticosteroid hibitor or anticholinergic agent | GLAXO GROUP LIMITED (GB) | 2008-10-28 | — | — | US | disclosed |
| EP-1366025-B1 | AGONISTS OF BETA-ADRENORECEPTORS | GLAXO GROUP LTD (GB) | 2007-06-27 | — | — | EP | disclosed |
| US-20070004807-A1 | e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer | GLAXO GROUP LIMITED (GB) | 2007-01-04 | — | — | US | disclosed |
| US-20060287389-A1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2006-12-21 | — | — | US | disclosed |
| US-20060287286-A1 | PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2006-12-21 | — | — | US | disclosed |
| US-7144908-B2 | Agonists of beta-adrenoceptors | GLAXO GROUP LIMITED (GB) | 2006-12-05 | — | — | US | disclosed |
| US-7135600-B2 | Selective beta 2-adrenoreceptor agonists; rapid onset of action, long duration; such as 3-(4-{[6-{(-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzenesulfonamide; synthesis | GLAXO GROUP LIMITED (GB) | 2006-11-14 | — | — | US | disclosed |
| US-20040242890-A1 | Agonists of beta-adrenoceptors | GLAXO GROUP LIMITED (GB) | 2004-12-02 | — | — | US | disclosed |
| US-20040180876-A1 | Phenethanolamine derivatives for treatment of respiratory diseases | GLAXO GROUP LIMITED (GB) | 2004-09-16 | — | — | US | disclosed |