⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2423219 | 0.81 | — | — | |
| SCHEMBL28565176 | 0.80 | — | — | |
| SCHEMBL9770408 | 0.78 | TDP1 (0.53) | — | |
| SCHEMBL1016844 | 0.73 | — | — | |
| SCHEMBL17953254 | 0.73 | — | — | |
| SCHEMBL23531274 | 0.73 | TDP1 (0.48) | — | |
| SCHEMBL23531396 | 0.73 | TDP1 (0.48) | — | |
| SCHEMBL88235 | 0.72 | — | — | |
| SCHEMBL1709995 | 0.71 | — | — | |
| SCHEMBL918635 | 0.69 | — | — |
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 |