⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11689641 | 0.82 | KDM4E (0.39) | — | |
| SCHEMBL10820303 | 0.73 | — | — | |
| SCHEMBL9112334 | 0.73 | — | — | |
| SCHEMBL20853612 | 0.73 | — | — | |
| SCHEMBL5267771 | 0.73 | — | — | |
| SCHEMBL6910515 | 0.70 | — | — | |
| SCHEMBL1833267 | 0.69 | — | — | |
| SCHEMBL2122982 | 0.67 | — | — | |
| SCHEMBL756112 | 0.67 | — | — | |
| SCHEMBL11137444 | 0.65 | TP53 (0.36) | — |
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-1851225-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006084634-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | WO | disclosed |