⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29851112 | 0.65 | — | — | |
| SCHEMBL25272990 | 0.58 | FFAR3 (0.31) | — | |
| SCHEMBL9365899 | 0.57 | — | — | |
| SCHEMBL1746287 | 0.55 | — | — | |
| SCHEMBL17535563 | 0.55 | APLNR (0.31) | — | |
| SCHEMBL1746023 | 0.54 | — | — | |
| SCHEMBL136059 | 0.52 | — | — | |
| SCHEMBL23858688 | 0.50 | KDM4E (0.33) | — | |
| SCHEMBL23858690 | 0.50 | KDM4E (0.33) | — | |
| SCHEMBL25412119 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022228568-A1 | PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-11-03 | — | — | WO | disclosed |