⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12408124 | 0.77 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL24729109 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL24728917 | 0.72 | KMT2A (0.31) | — | |
| SCHEMBL25951418 | 0.72 | POLB (0.32) | — | |
| SCHEMBL24729112 | 0.72 | DAO (0.47) | — | |
| SCHEMBL25413704 | 0.67 | MAPK1 (0.33) | — | |
| SCHEMBL24729111 | 0.67 | CA12 (0.34) | — | |
| SCHEMBL24729048 | 0.67 | — | — | |
| SCHEMBL30823972 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL24729110 | 0.67 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| 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 |