⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31491372 | 0.89 | CHRM3 (0.33) | — | |
| SCHEMBL31491308 | 0.86 | — | — | |
| SCHEMBL15976749 | 0.83 | KMT2A (0.33) | — | |
| SCHEMBL22734115 | 0.80 | KMT2A (0.38) | — | |
| SCHEMBL22734104 | 0.80 | KMT2A (0.40) | — | |
| SCHEMBL31474619 | 0.80 | ADORA3 (0.32) | — | |
| SCHEMBL22734105 | 0.79 | KMT2A (0.43) | — | |
| SCHEMBL22734110 | 0.79 | — | — | |
| SCHEMBL21062052 | 0.77 | — | — | |
| SCHEMBL20840622 | 0.77 | MAPK1 (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-2025067168-A1 | AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 苏州爱科百发生物医药技术有限公司 | 2025-04-03 | — | — | WO | disclosed |