⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31010274 | 0.78 | AR (0.32) | — | |
| SCHEMBL13010765 | 0.78 | PDK2 (0.37) | — | |
| SCHEMBL24454079 | 0.77 | NOS1 (0.33) | — | |
| SCHEMBL10141547 | 0.73 | — | — | |
| SCHEMBL13061839 | 0.72 | KCNH2 (0.30) | — | |
| SCHEMBL22022298 | 0.68 | SCN5A (0.30) | — | |
| SCHEMBL25452956 | 0.68 | SCN5A (0.30) | — | |
| SCHEMBL17083377 | 0.68 | PLAU (0.34) | — | |
| SCHEMBL2611113 | 0.65 | NPBWR1 (0.41) | — | |
| SCHEMBL2608445 | 0.63 | KDM5B (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023069544-A1 | 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV | ASSEMBLY BIOSCIENCES, INC. (US) | 2023-04-27 | — | — | WO | disclosed |
| WO-2023069544-A1 | 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV | ASSEMBLY BIOSCIENCES, INC. (US) | 2023-04-27 | — | — | WO | disclosed |