⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2748430 | 1.00 | — | — | |
| SCHEMBL2746449 | 0.87 | ADRB2 (0.37) | — | |
| SCHEMBL2748428 | 0.78 | ADRB2 (0.31) | — | |
| SCHEMBL2748429 | 0.78 | ADRB2 (0.31) | — | |
| SCHEMBL2748426 | 0.78 | ADRB2 (0.32) | — | |
| SCHEMBL1205433 | 0.68 | ADRB2 (0.31) | — | |
| SCHEMBL828606 | 0.68 | ADRB2 (0.31) | — | |
| SCHEMBL1205795 | 0.68 | ADRB2 (0.34) | — | |
| SCHEMBL1205793 | 0.68 | ADRB2 (0.34) | — | |
| SCHEMBL5279430 | 0.64 | ADRB2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8178679-B2 | Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptors | ALMIRALL, S.A. (ES) | 2012-05-15 | — | — | US | disclosed |
| US-20100324000-A1 | DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS | ALMIRALL, S.A. (ES) | 2010-12-23 | — | — | US | disclosed |
| EP-2212276-A1 | DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR | Almirall, S.A. (ES) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009068177-A1 | DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR | ALMIRALL, S.A. (ES) | 2009-06-04 | — | — | WO | disclosed |