⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7714803 | 0.92 | PDCD1 (0.33) | — | |
| SCHEMBL7716950 | 0.89 | ADRB2 (0.32) | — | |
| SCHEMBL7716899 | 0.88 | ADRB2 (0.33) | — | |
| SCHEMBL7714670 | 0.88 | ADRB2 (0.33) | — | |
| SCHEMBL7712721 | 0.87 | RPS6KB1 (0.30) | — | |
| SCHEMBL7708894 | 0.84 | ADRB2 (0.32) | — | |
| SCHEMBL7714532 | 0.84 | ADRB2 (0.32) | — | |
| SCHEMBL7714945 | 0.84 | CYP3A4 (0.30) | — | |
| SCHEMBL7709011 | 0.83 | NR1H2 (0.32) | — | |
| SCHEMBL7714625 | 0.79 | S1PR3 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0865421-B1 | ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS | GLAXO GROUP LTD (GB) | 2002-03-27 | — | — | EP | disclosed |
| US-6048872-A | DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS | GLAXO WELLCOME INC. (US) | 2000-04-11 | — | — | US | disclosed |
| EP-0865421-A1 | ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS | GLAXO GROUP LIMITED (GB) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997021665-A1 | ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS | GLAXO GROUP LIMITED (GB) | 1997-06-19 | — | — | WO | disclosed |