⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25839713 | 0.80 | — | — | |
| SCHEMBL30068624 | 0.79 | MAP3K12 (0.42) | — | |
| SCHEMBL25302377 | 0.79 | MAP3K12 (0.42) | — | |
| SCHEMBL25302375 | 0.79 | MAP3K12 (0.42) | — | |
| SCHEMBL25857394 | 0.76 | — | — | |
| SCHEMBL30068859 | 0.73 | MAP3K12 (0.42) | — | |
| SCHEMBL25258943 | 0.73 | MAP3K12 (0.42) | — | |
| SCHEMBL25857450 | 0.69 | CREBBP (0.31) | — | |
| SCHEMBL25838497 | 0.69 | THRB (0.33) | — | |
| SCHEMBL25839721 | 0.68 | — | — |
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 |