⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3354223 | 0.86 | GRM5 (0.40) | — | |
| SCHEMBL3348921 | 0.79 | IKBKB (0.39) | — | |
| SCHEMBL3346215 | 0.78 | DYRK1A (0.38) | — | |
| SCHEMBL3351328 | 0.77 | CYP2A6 (0.34) | — | |
| SCHEMBL3346431 | 0.77 | PTPRC (0.36) | — | |
| SCHEMBL3348317 | 0.67 | PDE10A (0.33) | — | |
| SCHEMBL25331092 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL3348904 | 0.62 | TGFBR1 (0.46) | — | |
| SCHEMBL3347060 | 0.61 | GRM5 (0.35) | — | |
| SCHEMBL3346494 | 0.61 | DYRK1A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010063487-A1 | PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-06-10 | — | — | WO | disclosed |