⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30702431 | 0.71 | HSP90AA1 (0.32) | — | |
| SCHEMBL18996006 | 0.71 | GABRG2 (0.30) | — | |
| SCHEMBL28785903 | 0.71 | HSP90AA1 (0.32) | — | |
| SCHEMBL4884779 | 0.69 | HCAR2 (0.36) | — | |
| SCHEMBL13200098 | 0.68 | — | — | |
| SCHEMBL14311954 | 0.68 | ADORA3 (0.32) | — | |
| Dimethylformamide SCHEMBL28802744 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL20162926 | 0.67 | — | — | |
| SCHEMBL30717975 | 0.65 | TP53 (0.35) | — | |
| SCHEMBL30717979 | 0.65 | TP53 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109438447-B | Preparation method and application of 5, 7-dihydro-6H-pyrrolo [2,3-d ] pyrimidine-6-ketone derivative | 北京工业大学 | 2020-10-16 | — | — | CN | disclosed |