⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL615539 | 1.00 | — | — | |
| SCHEMBL614149 | 1.00 | — | — | |
| SCHEMBL14771566 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL14771565 | 0.84 | PTGS1 (0.30) | — | |
| SCHEMBL616209 | 0.84 | PTGS1 (0.30) | — | |
| SCHEMBL616683 | 0.84 | PTGS1 (0.30) | — | |
| SCHEMBL1566288 | 0.81 | — | — | |
| SCHEMBL1908577 | 0.80 | DYRK1A (0.31) | — | |
| SCHEMBL19059648 | 0.78 | — | — | |
| SCHEMBL19020058 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120041041-A1 | 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY | NOVARTIS AG | 2012-02-16 | — | — | US | disclosed |
| EP-1819686-B1 | 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY | NOVARTIS AG (CH) | 2011-08-17 | — | — | EP | disclosed |
| EP-2305659-A1 | 5-hydroxy-benzothiazole derivatives having beta-2-adrenoreceptor agonist activity | Novartis AG (CH) | 2011-04-06 | — | — | EP | disclosed |