⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25851585 | 0.85 | NPSR1 (0.41) | — | |
| SCHEMBL25849185 | 0.78 | VNN1 (0.31) | — | |
| SCHEMBL25847383 | 0.77 | — | — | |
| SCHEMBL25849396 | 0.77 | RECQL (0.50) | — | |
| SCHEMBL25849000 | 0.76 | PDK1 (0.41) | — | |
| SCHEMBL25850243 | 0.76 | HRH3 (0.38) | — | |
| SCHEMBL25853617 | 0.75 | CHRM1 (0.35) | — | |
| SCHEMBL25849593 | 0.74 | DGAT2 (0.32) | — | |
| SCHEMBL25852110 | 0.71 | HRH3 (0.36) | — | |
| SCHEMBL25848587 | 0.68 | RIPK1 (0.35) | — |
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 |