⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25828870 | 0.81 | HTR2A (0.33) | — | |
| SCHEMBL23962773 | 0.77 | DRD2 (0.40) | — | |
| SCHEMBL23962762 | 0.74 | DRD2 (0.37) | — | |
| SCHEMBL25827152 | 0.73 | GABRA1 (0.30) | — | |
| SCHEMBL23481727 | 0.73 | — | — | |
| SCHEMBL25828868 | 0.72 | NOTUM (0.33) | — | |
| SCHEMBL25196687 | 0.71 | ATM (0.30) | — | |
| SCHEMBL18310647 | 0.71 | HTR2A (0.31) | — | |
| SCHEMBL25828856 | 0.69 | EIF4A3 (0.38) | — | |
| SCHEMBL26322610 | 0.69 | MEN1 (0.35) | — |
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-2023125841-A1 | HETEROCYCLIC COMPOUND AS POLθ INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2023-07-06 | — | — | WO | disclosed |