⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL328120 | 0.58 | — | — | |
| SCHEMBL25949562 | 0.55 | UHRF1 (0.40) | — | |
| SCHEMBL13083529 | 0.55 | — | — | |
| SCHEMBL12020214 | 0.49 | — | — | |
| Hydrochloric Acid SCHEMBL8461582 | 0.48 | ATAD2 (0.32) | — | |
| SCHEMBL13818944 | 0.47 | NOTUM (0.44) | — | |
| SCHEMBL19227788 | 0.47 | — | — | |
| SCHEMBL3340629 | 0.46 | — | — | |
| SCHEMBL2972677 | 0.45 | — | — | |
| SCHEMBL4423477 | 0.45 | ATM (0.48) | — |
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 |