⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14257134 | 0.78 | — | — | |
| SCHEMBL10566488 | 0.76 | — | — | |
| SCHEMBL1387872 | 0.71 | — | — | |
| SCHEMBL3590708 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL9409721 | 0.65 | CHRM2 (0.45) | — | |
| SCHEMBL18686733 | 0.62 | TYR (0.41) | — | |
| SCHEMBL20014738 | 0.62 | — | — | |
| SCHEMBL16532135 | 0.60 | LPO (0.44) | — | |
| SCHEMBL4623309 | 0.60 | MAPT (0.39) | — | |
| SCHEMBL21911678 | 0.59 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7435731-B2 | Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same | ROCHE PALO ALTO LLC (US) | 2008-10-14 | — | — | US | disclosed |
| US-20050197340-A1 | Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same | ROCHE PALO ALTO LLC | 2005-09-08 | — | — | US | disclosed |