⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL764231 | 1.00 | — | — | |
| SCHEMBL13355187 | 1.00 | — | — | |
| SCHEMBL22418637 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1584359 | 0.98 | EPHX2 (0.30) | — | |
| SCHEMBL13003413 | 0.86 | PTGES (0.33) | — | |
| SCHEMBL261614 | 0.85 | ESR1 (0.34) | — | |
| SCHEMBL261822 | 0.85 | ESR1 (0.34) | — | |
| SCHEMBL14314633 | 0.83 | EPHX2 (0.35) | — | |
| SCHEMBL26906000 | 0.82 | — | — | |
| SCHEMBL15974544 | 0.82 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1633355-B1 | BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR | HOFFMANN LA ROCHE (CH) | 2008-05-28 | — | — | EP | disclosed |
| US-7285548-B2 | Urea substituted benzothiazoles | HOFFMANN-LA ROCHE INC. (US) | 2007-10-23 | — | — | US | disclosed |
| EP-1633355-A1 | BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004105755-A1 | BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-09 | — | — | WO | disclosed |
| US-20040242576-A1 | Urea substituted benzothiazoles | HOFFMANN-LA ROCHE INC. | 2004-12-02 | — | — | US | disclosed |