⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL681129 | 0.79 | — | — | |
| SCHEMBL25864435 | 0.75 | — | — | |
| SCHEMBL25143886 | 0.75 | — | — | |
| SCHEMBL12448135 | 0.75 | — | — | |
| SCHEMBL20231506 | 0.73 | CYP2C9 (0.31) | — | |
| SCHEMBL12801526 | 0.71 | HRH3 (0.34) | — | |
| SCHEMBL26151548 | 0.71 | — | — | |
| SCHEMBL10923677 | 0.69 | — | — | |
| SCHEMBL8584592 | 0.69 | — | — | |
| SCHEMBL6057033 | 0.69 | — | — |
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 |