⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL202086 | 0.78 | — | — | |
| SCHEMBL10366602 | 0.75 | — | — | |
| SCHEMBL709411 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL709902 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL28361959 | 0.65 | — | — | |
| SCHEMBL8055213 | 0.65 | — | — | |
| SCHEMBL608728 | 0.65 | — | — | |
| 1,2-Dichloroethane SCHEMBL28112515 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL7056286 | 0.63 | — | — | |
| SCHEMBL3556464 | 0.63 | — | — |
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 |