⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28803248 | 0.78 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL28803053 | 0.77 | MBOAT4 (0.33) | — | |
| SCHEMBL28803213 | 0.77 | QPCT (0.39) | — | |
| SCHEMBL28803151 | 0.73 | AOC3 (0.33) | — | |
| SCHEMBL28803121 | 0.72 | TBXAS1 (0.43) | — | |
| SCHEMBL28366435 | 0.68 | GABRA5 (0.36) | — | |
| SCHEMBL28320024 | 0.67 | GABRA5 (0.35) | — | |
| SCHEMBL28316724 | 0.66 | GABRA5 (0.32) | — | |
| SCHEMBL15881332 | 0.65 | POLB (0.43) | — | |
| SCHEMBL21241149 | 0.62 | LMNA (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114805334-B | QC and GSK-3 beta multi-targeting inhibitor and preparation method and application thereof | 深圳大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-114805334-A | QC and GSK-3 beta multi-target inhibitor and preparation method and application thereof | 深圳大学 | 2022-07-29 | — | — | CN | disclosed |