⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15081331 | 0.80 | NFATC1 (0.36) | — | |
| SCHEMBL15081228 | 0.80 | XDH (0.38) | — | |
| SCHEMBL1741552 | 0.79 | PKM (0.39) | — | |
| SCHEMBL1743210 | 0.79 | PKM (0.39) | — | |
| SCHEMBL14636500 | 0.78 | SIGMAR1 (0.53) | — | |
| SCHEMBL30905951 | 0.73 | PI4KA (0.40) | — | |
| SCHEMBL7212761 | 0.69 | ADORA2A (0.36) | — | |
| SCHEMBL6912501 | 0.67 | GABRA1 (0.31) | — | |
| SCHEMBL2416678 | 0.64 | — | — | |
| SCHEMBL23412841 | 0.63 | HTR2A (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2734524-A1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2014-05-28 | — | — | EP | disclosed |
| WO-2013010950-A1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-01-24 | — | — | WO | disclosed |