⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15695436 | 0.74 | CASP1 (0.32) | — | |
| SCHEMBL2892041 | 0.73 | FAAH (0.40) | — | |
| SCHEMBL4290490 | 0.71 | — | — | |
| SCHEMBL92062 | 0.69 | — | — | |
| SCHEMBL14769297 | 0.69 | LIPA (0.36) | — | |
| SCHEMBL2000632 | 0.69 | CES1 (0.30) | — | |
| SCHEMBL8406316 | 0.69 | KMT2A (0.33) | — | |
| SCHEMBL5146932 | 0.65 | — | — | |
| SCHEMBL10615765 | 0.65 | — | — | |
| SCHEMBL1058273 | 0.65 | PLA2G4A (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7514443-B2 | Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors | HOFFMANN-LA ROCHE INC. (US) | 2009-04-07 | — | — | US | disclosed |
| US-20080051421-A1 | Pyrazolo-pyridine | WICHMANN JUERGEN | 2008-02-28 | — | — | US | disclosed |
| US-7329662-B2 | Pyrazolo-pyridine | HOFFMANN-LA ROCHE INC. (US) | 2008-02-12 | — | — | US | disclosed |
| US-20050130992-A1 | Pyrazolo-pyridine | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-16 | — | — | US | disclosed |