⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21136353 | 0.69 | — | — | |
| SCHEMBL3438895 | 0.67 | — | — | |
| SCHEMBL8808781 | 0.65 | USP2 (0.34) | — | |
| SCHEMBL7603418 | 0.56 | — | — | |
| SCHEMBL11695469 | 0.56 | TSHR (0.33) | — | |
| SCHEMBL28288874 | 0.55 | — | — | |
| SCHEMBL12948739 | 0.54 | — | — | |
| SCHEMBL8380075 | 0.54 | TSHR (0.31) | — | |
| SCHEMBL14107679 | 0.54 | — | — | |
| SCHEMBL791484 | 0.53 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021216656-A1 | 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV | ASSEMBLY BIOSCIENCES, INC. (US) | 2021-10-28 | — | — | WO | disclosed |
| WO-2021216642-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV | ASSEMBLY BIOSCIENCES, INC. (US) | 2021-10-28 | — | — | WO | disclosed |
| WO-2021216660-A1 | 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV | ASSEMBLY BIOSCIENCES, INC. (US) | 2021-10-28 | — | — | WO | disclosed |
| WO-2021216661-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV | ASSEMBLY BIOSCIENCES, INC. (US) | 2021-10-28 | — | — | WO | disclosed |