⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1761078 | 0.94 | — | — | |
| Trifluoroacetic Acid SCHEMBL1761068 | 0.90 | ADORA2A (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL1760996 | 0.88 | ADRA1A (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL1760939 | 0.88 | ADORA2A (0.39) | — | |
| SCHEMBL1761082 | 0.84 | EIF4E (0.42) | — | |
| SCHEMBL2925732 | 0.83 | EIF4E (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL1761010 | 0.82 | ADORA2A (0.39) | — | |
| SCHEMBL12592822 | 0.82 | ADRA1A (0.44) | — | |
| SCHEMBL4054003 | 0.81 | ADORA2A (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL1760936 | 0.79 | PKM (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7947692-B2 | Substituted thiazolo[5,4-d]pyrimidine urea derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-05-24 | — | — | US | disclosed |