⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13219122 | 0.60 | BCL2L1 (0.50) | — | |
| SCHEMBL17547158 | 0.58 | SIGMAR1 (0.50) | — | |
| SCHEMBL8197336 | 0.57 | MAOA (0.58) | — | |
| SCHEMBL25044259 | 0.56 | PNMT (0.44) | — | |
| SCHEMBL21400631 | 0.55 | PARP1 (0.44) | — | |
| SCHEMBL24824509 | 0.55 | ADRA2A (0.35) | — | |
| SCHEMBL13219169 | 0.55 | ESR2 (0.55) | — | |
| SCHEMBL19724874 | 0.55 | NAMPT (0.38) | — | |
| SCHEMBL24271551 | 0.55 | OGA (0.39) | — | |
| SCHEMBL23709349 | 0.54 | QRFPR (0.30) | — |
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 |