⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15876618 | 0.71 | CYP2C19 (0.39) | — | |
| SCHEMBL25270430 | 0.71 | — | — | |
| SCHEMBL16430906 | 0.70 | PANK3 (0.32) | — | |
| SCHEMBL16432477 | 0.70 | GPR119 (0.38) | — | |
| SCHEMBL15876548 | 0.67 | GLS (0.38) | — | |
| SCHEMBL17925061 | 0.67 | PANK3 (0.42) | — | |
| SCHEMBL25277206 | 0.65 | — | — | |
| SCHEMBL28795276 | 0.65 | HTR4 (0.32) | — | |
| SCHEMBL17925019 | 0.64 | PCSK9 (0.31) | — | |
| SCHEMBL17925116 | 0.64 | GPR119 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117157298-A | Dual-function chimeric heterocyclic compound of interleukin-1 receptor related kinase 4, preparation method, medicinal composition and application thereof | 石药集团中奇制药技术（石家庄）有限公司 | 2023-12-01 | — | — | CN | disclosed |
| WO-2023186069-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2023-10-05 | — | — | WO | disclosed |