⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28327014 | 0.89 | — | — | |
| SCHEMBL21758195 | 0.82 | — | — | |
| SCHEMBL28328340 | 0.82 | GAA (0.33) | — | |
| SCHEMBL28310955 | 0.78 | — | — | |
| SCHEMBL15786648 | 0.78 | — | — | |
| SCHEMBL29191167 | 0.77 | GRIN2D (0.36) | — | |
| SCHEMBL27256721 | 0.77 | GRIN2D (0.34) | — | |
| SCHEMBL19663790 | 0.71 | CRHBP (0.37) | — | |
| SCHEMBL29017205 | 0.71 | — | — | |
| SCHEMBL24007702 | 0.70 | GRIN2D (0.31) | — |
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-116075514-A | Pharmacologically active heterocyclic substituted pyrazolo [1,5-a ] pyrimidine derivatives | 吉瑞工厂 | 2023-05-05 | — | — | CN | disclosed |