⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16826658 | 1.00 | — | — | |
| SCHEMBL16826867 | 0.77 | — | — | |
| SCHEMBL16603576 | 0.72 | — | — | |
| SCHEMBL29558043 | 0.71 | — | — | |
| SCHEMBL11837238 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL10414347 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL5957149 | 0.67 | CYP1A2 (0.34) | — | |
| SCHEMBL1732884 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL18562098 | 0.65 | — | — | |
| SCHEMBL1182747 | 0.65 | ALDH1A1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114315796-B | Compounds used as HPK1 kinase inhibitor, preparation method and application thereof | 中国药科大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-109415352-B | 3-amino-1, 2, 4-triazine derivatives and their use for controlling unwanted plant growth | 拜耳作物科学股份公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-114315796-A | Compound used as HPK1 kinase inhibitor and preparation method and application thereof | 中国药科大学 | 2022-04-12 | — | — | CN | disclosed |
| CN-114173772-A | Inhibitors of CD40-CD154 binding | 托尼克斯医药控股公司 | 2022-03-11 | — | — | CN | disclosed |
| EP-3952853-A1 | INHIBITORS OF CD40-CD154 BINDING | Tonix Pharmaceuticals Holding Corp. (US) | 2022-02-16 | — | — | EP | disclosed |