⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1919423 | 0.77 | — | — | |
| SCHEMBL4927804 | 0.77 | GABRA1 (0.31) | — | |
| SCHEMBL4078236 | 0.75 | — | — | |
| SCHEMBL7250143 | 0.75 | — | — | |
| SCHEMBL9886389 | 0.75 | — | — | |
| SCHEMBL2599238 | 0.71 | — | — | |
| SCHEMBL7559397 | 0.68 | ALOX15 (0.39) | — | |
| SCHEMBL725181 | 0.64 | GABRA1 (0.38) | — | |
| SCHEMBL7713823 | 0.64 | KDM4E (0.41) | — | |
| SCHEMBL2088731 | 0.62 | — | — |
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-2057166-A2 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3,3A-DIHYDRO- PYRAZOLOÝ1,5-A¨PYRIMIDIN-7-YL)-AMINO DERIVATIVES AND INTERMEDIATES | SCHERING CORPORATION (US) | 2009-05-13 | — | — | EP | claimed |
| WO-2008027220-A2 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3, 3A-DIHYDROPYRAZOL0 [1, 5-A] PYRIMIDIN-7-YL) -AMINO DERIVATIVES | SCHERING CORPORATION (US) | 2008-03-06 | — | — | WO | claimed |