⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25857471 | 0.81 | — | — | |
| SCHEMBL3409401 | 0.81 | KCNA5 (0.49) | — | |
| SCHEMBL518808 | 0.81 | — | — | |
| SCHEMBL29435745 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28182705 | 0.79 | CHRM5 (0.48) | — | |
| Hydrochloric Acid SCHEMBL4024971 | 0.79 | KCNA5 (0.47) | — | |
| Hydrochloric Acid SCHEMBL5755597 | 0.79 | CHRM5 (0.48) | — | |
| SCHEMBL1629081 | 0.77 | — | — | |
| SCHEMBL30585560 | 0.77 | — | — | |
| SCHEMBL22928679 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2057166-B1 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3,3A-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-AMINO DERIVATIVES | MERCK SHARP & DOHME (US) | 2018-07-11 | — | — | EP | disclosed |
| US-8076479-B2 | useful as cyclin-dependent kinase inhibitor compounds; minimizes the need for chromatographic purification of intermediates, and utilizes fewer changes of solvent systems | SCHERING CORPORATION (US) | 2011-12-13 | — | — | US | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| US-20080058518-A1 | Process and intermediates for the synthesis of (3-alkyl-5-piperidin-1-yl-3,3a-dihydro-pyrazolo[1,5-a]pyrimidin-7-yl)-amino derivatives and intermediates | MERCK SHARP & DOHME LLC | 2008-03-06 | — | — | US | disclosed |
| CN-1681504-A | N-sulfonylpiperidines as metalloproteinase inhibitors (TACE) | ASTRAZENECA AB (SE) | 2005-10-12 | — | — | CN | disclosed |