⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31491290 | 0.87 | LATS1 (0.36) | — | |
| SCHEMBL31491339 | 0.86 | HDAC4 (0.34) | — | |
| SCHEMBL31491285 | 0.86 | LATS1 (0.30) | — | |
| SCHEMBL31491319 | 0.85 | LATS1 (0.41) | — | |
| SCHEMBL31491400 | 0.84 | CFTR (0.32) | — | |
| SCHEMBL31491386 | 0.80 | — | — | |
| SCHEMBL31491287 | 0.78 | LTA4H (0.33) | — | |
| SCHEMBL31491311 | 0.77 | LTA4H (0.33) | — | |
| SCHEMBL31491291 | 0.76 | ADORA2A (0.37) | — | |
| SCHEMBL31491337 | 0.75 | PRKCI (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-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 |