⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25851587 | 0.85 | ALDH1A1 (0.38) | — | |
| SCHEMBL25853945 | 0.80 | GRM5 (0.37) | — | |
| SCHEMBL25853967 | 0.78 | VNN1 (0.31) | — | |
| SCHEMBL25853513 | 0.77 | — | — | |
| SCHEMBL25847476 | 0.77 | PIK3CD (0.34) | — | |
| SCHEMBL25850418 | 0.75 | PRMT5 (0.32) | — | |
| SCHEMBL25848798 | 0.74 | NOTUM (0.42) | — | |
| SCHEMBL25853250 | 0.72 | GRM5 (0.39) | — | |
| SCHEMBL25847131 | 0.72 | PRMT5 (0.32) | — | |
| SCHEMBL25848676 | 0.69 | NAMPT (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-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |