⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3479395 | 0.90 | ALOX5 (0.46) | — | |
| SCHEMBL2516791 | 0.90 | ALOX5 (0.46) | — | |
| SCHEMBL3479329 | 0.90 | ALOX5 (0.46) | — | |
| SCHEMBL2523561 | 0.90 | ALOX5 (0.46) | — | |
| SCHEMBL9294752 | 0.90 | ALOX5 (0.46) | — | |
| SCHEMBL453366 | 0.83 | — | — | |
| SCHEMBL3479376 | 0.83 | ALOX5 (0.62) | — | |
| SCHEMBL3479692 | 0.80 | ALOX5 (0.59) | — | |
| SCHEMBL4157460 | 0.80 | ALOX5 (0.59) | — | |
| SCHEMBL3479153 | 0.80 | ALOX5 (0.59) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021106751-A1 | BLOCKING AGENT FOR ISOCYANATE GROUP, AND ISOCYANATE PROTECTED BY SAID BLOCKING AGENT | 信越化学工業株式会社 | 2021-06-03 | — | — | WO | disclosed |
| WO-2013062119-A1 | CURABLE COMPOSITION | DOW CORNING TORAY CO., LTD. (JP) | 2013-05-02 | — | — | WO | disclosed |
| US-20090221653-A1 | 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists | ASTRAZENECA AB (SE) | 2009-09-03 | — | — | US | disclosed |
| CN-101300239-A | 7- (2-amino-1-hydroxy-ethyl) -4-hydroxybenzothiazol-2 (3H) -one derivatives as beta 2 adrenoreceptor agonists | ASTRAZENECA AB (SE) | 2008-11-05 | — | — | CN | disclosed |
| EP-1937656-A1 | 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS | AstraZeneca AB (SE) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007027134-A1 | 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS | ASTRAZENECA AB (SE) | 2007-03-08 | — | — | WO | disclosed |
| US-4351848-A | 1-((1-Methylethyl)amino)-3-(((4-alkylthio)1-naphthalenyl)oxy)-2-propanol | DRUG SCIENCE FOUNDATION (US) | 1982-09-28 | — | — | US | disclosed |
| EP-0004300-B1 | 1-((1-METHYLETHYL)AMINO)-3-((4-ALKYLTHIO)-1-NAPHTHALENYL))OXY-2-PROPANOL, AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | Walle, Thomas (US) | 1981-01-07 | — | — | EP | disclosed |
| EP-0004300-A1 | 1-((1-Methylethyl)amino)-3-((4-alkylthio)-1-naphthalenyl))oxy-2-propanol, and pharmaceutical compositions containing it | Walle, Thomas (US) | 1979-10-03 | — | — | EP | disclosed |