⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1106416 | 0.64 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL25081718 | 0.63 | — | — | |
| SCHEMBL24871594 | 0.62 | — | — | |
| SCHEMBL22268222 | 0.62 | — | — | |
| SCHEMBL24313412 | 0.60 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL16127282 | 0.60 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL25081776 | 0.57 | — | — | |
| SCHEMBL25081712 | 0.56 | — | — | |
| SCHEMBL23513077 | 0.55 | — | — | |
| SCHEMBL16477891 | 0.55 | — | — |
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-2022166810-A1 | FUSED AZATRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2022-08-11 | — | — | WO | disclosed |