⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL388893 | 0.62 | — | — | |
| SCHEMBL25364089 | 0.62 | — | — | |
| SCHEMBL18716432 | 0.59 | — | — | |
| Phosphine SCHEMBL24869468 | 0.59 | — | — | |
| SCHEMBL12138622 | 0.59 | — | — | |
| SCHEMBL563003 | 0.58 | — | — | |
| Fluoride SCHEMBL3778338 | 0.54 | — | — | |
| Phosphine SCHEMBL29055247 | 0.54 | — | — | |
| SCHEMBL7711315 | 0.54 | — | — | |
| SCHEMBL14956422 | 0.54 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180134712-A1 | 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-17 | — | — | US | disclosed |