⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20049511 | 0.76 | — | — | |
| SCHEMBL21236158 | 0.74 | ADORA2A (0.32) | — | |
| SCHEMBL12285500 | 0.67 | — | — | |
| SCHEMBL25834465 | 0.67 | ALOX5AP (0.37) | — | |
| SCHEMBL25087089 | 0.65 | — | — | |
| SCHEMBL16563954 | 0.65 | — | — | |
| SCHEMBL21737386 | 0.65 | — | — | |
| SCHEMBL17196465 | 0.64 | — | — | |
| SCHEMBL14926166 | 0.62 | PDE10A (0.37) | — | |
| SCHEMBL19209835 | 0.62 | — | — |
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-2023125845-A1 | HETEROAROMATIC BICYCLIC COMPOUND AND ANTIVIRAL APPLICATION THEREOF | 苏州爱科百发生物医药技术有限公司 | 2023-07-06 | — | — | WO | disclosed |