⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2884058 | 0.69 | CES2 (0.36) | — | |
| SCHEMBL9053768 | 0.68 | — | — | |
| SCHEMBL3583073 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL21645309 | 0.67 | CA2 (0.33) | — | |
| SCHEMBL6995147 | 0.67 | HTT (0.32) | — | |
| SCHEMBL14952073 | 0.67 | — | — | |
| SCHEMBL21543933 | 0.65 | HTT (0.31) | — | |
| SCHEMBL6990542 | 0.65 | HTT (0.31) | — | |
| SCHEMBL92062 | 0.64 | — | — | |
| SCHEMBL15715928 | 0.63 | MCL1 (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3302486-B1 | DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME (US) | 2020-09-30 | — | — | EP | disclosed |
| US-10174037-B2 | Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2019-01-08 | — | — | US | disclosed |
| US-20180148453-A1 | DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-31 | — | — | US | disclosed |
| EP-3302486-A1 | DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-04-11 | — | — | EP | disclosed |
| WO-2016196417-A1 | DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-12-08 | — | — | WO | disclosed |