⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6701787 | 0.89 | ALDH1A1 (0.41) | — | |
| SCHEMBL25223203 | 0.78 | — | — | |
| SCHEMBL25227136 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL25228830 | 0.71 | TSHR (0.48) | — | |
| SCHEMBL11155753 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL1013197 | 0.68 | TSHR (0.56) | — | |
| SCHEMBL6996338 | 0.68 | TDP1 (0.53) | — | |
| SCHEMBL3699223 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL20173448 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL11466905 | 0.64 | CES2 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118302425-A | IRAK4 inhibitors and uses thereof | 武汉人福创新药物研发中心有限公司 | 2024-07-05 | — | — | CN | disclosed |
| WO-2023098857-A1 | IRAK4 INHIBITOR AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2023-06-08 | — | — | WO | disclosed |
| WO-2023098857-A1 | IRAK4 INHIBITOR AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2023-06-08 | — | — | WO | disclosed |