⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058553 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL29098228 | 0.78 | — | — | |
| SCHEMBL2972469 | 0.78 | — | — | |
| SCHEMBL4730355 | 0.76 | — | — | |
| SCHEMBL11860955 | 0.76 | — | — | |
| SCHEMBL28565801 | 0.76 | — | — | |
| SCHEMBL28807422 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL710785 | 0.76 | — | — | |
| SCHEMBL19182728 | 0.74 | — | — | |
| SCHEMBL14271451 | 0.74 | TSHR (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |