⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8427705 | 1.00 | — | — | |
| SCHEMBL383530 | 1.00 | — | — | |
| SCHEMBL8247137 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5038885 | 0.98 | MEN1 (0.36) | — | |
| SCHEMBL21166045 | 0.80 | MEN1 (0.34) | — | |
| SCHEMBL21166066 | 0.80 | MEN1 (0.34) | — | |
| SCHEMBL21166099 | 0.80 | MEN1 (0.34) | — | |
| SCHEMBL24981342 | 0.76 | MEN1 (0.34) | — | |
| SCHEMBL19881546 | 0.76 | MEN1 (0.34) | — | |
| SCHEMBL23583672 | 0.76 | MEN1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-7285548-B2 | Urea substituted benzothiazoles | HOFFMANN-LA ROCHE INC. (US) | 2007-10-23 | — | — | US | 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 |