⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25838285 | 0.76 | CHRM2 (0.37) | — | |
| SCHEMBL25847105 | 0.74 | MAP3K12 (0.36) | — | |
| SCHEMBL31150716 | 0.74 | MAP3K12 (0.36) | — | |
| SCHEMBL25847097 | 0.65 | — | — | |
| SCHEMBL18875099 | 0.62 | NOS1 (0.38) | — | |
| SCHEMBL25837755 | 0.62 | — | — | |
| SCHEMBL25261819 | 0.62 | — | — | |
| SCHEMBL25837969 | 0.62 | CHRM2 (0.40) | — | |
| SCHEMBL25261030 | 0.60 | CDC7 (0.32) | — | |
| SCHEMBL30068675 | 0.59 | L3MBTL1 (0.34) | — |
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 |