⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25857394 | 0.85 | — | — | |
| SCHEMBL25839834 | 0.80 | PDE10A (0.32) | — | |
| SCHEMBL25839593 | 0.79 | — | — | |
| SCHEMBL25857176 | 0.79 | — | — | |
| SCHEMBL25302586 | 0.79 | PIK3CG (0.34) | — | |
| SCHEMBL30491526 | 0.79 | PIK3CG (0.34) | — | |
| SCHEMBL25262657 | 0.79 | PIK3CG (0.34) | — | |
| SCHEMBL25839505 | 0.77 | CXCR3 (0.36) | — | |
| SCHEMBL25857046 | 0.76 | — | — | |
| SCHEMBL25857298 | 0.75 | PDK2 (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 |