⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25838326 | 0.85 | SPR (0.33) | — | |
| SCHEMBL25855892 | 0.82 | MAP3K12 (0.34) | — | |
| SCHEMBL25838456 | 0.81 | PLAT (0.33) | — | |
| SCHEMBL25837868 | 0.78 | LMNA (0.36) | — | |
| SCHEMBL25838487 | 0.77 | HSD17B10 (0.32) | — | |
| SCHEMBL25838486 | 0.77 | HSD17B10 (0.32) | — | |
| SCHEMBL25838324 | 0.77 | LMNA (0.40) | — | |
| SCHEMBL25838331 | 0.74 | PRMT5 (0.32) | — | |
| SCHEMBL25837741 | 0.74 | MTNR1B (0.37) | — | |
| SCHEMBL25837873 | 0.74 | POLB (0.43) | — |
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 |