⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25600648 | 0.83 | SSTR4 (0.32) | — | |
| SCHEMBL25595129 | 0.71 | KDM2B (0.35) | — | |
| SCHEMBL25595529 | 0.66 | KHK (0.34) | — | |
| SCHEMBL25608755 | 0.66 | MAPK14 (0.32) | — | |
| SCHEMBL25817343 | 0.64 | HRH1 (0.31) | — | |
| SCHEMBL25592898 | 0.64 | MAPK14 (0.33) | — | |
| SCHEMBL25595530 | 0.64 | HRH1 (0.36) | — | |
| SCHEMBL25599815 | 0.63 | — | — | |
| SCHEMBL25592130 | 0.63 | CYP2D6 (0.36) | — | |
| SCHEMBL25592780 | 0.62 | LNPEP (0.33) | — |
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-2023088406-A1 | FUSED IMIDE DERIVATIVE | 正大天晴药业集团股份有限公司 | 2023-05-25 | — | — | WO | disclosed |