⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28181491 | 0.87 | TSHR (0.32) | — | |
| SCHEMBL27722393 | 0.84 | — | — | |
| SCHEMBL13234106 | 0.78 | CA12 (0.37) | — | |
| SCHEMBL27638544 | 0.78 | PYGL (0.32) | — | |
| SCHEMBL1970566 | 0.78 | MEN1 (0.36) | — | |
| SCHEMBL27595127 | 0.75 | KDM5A (0.31) | — | |
| SCHEMBL27822601 | 0.74 | PRMT3 (0.34) | — | |
| SCHEMBL13222275 | 0.74 | GMNN (0.30) | — | |
| SCHEMBL14618089 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL305960 | 0.73 | TSHR (0.31) | — |
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-114206872-A | Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists | 百济神州有限公司 | 2022-03-18 | — | — | CN | disclosed |
| CN-112321590-A | Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists | 百济神州有限公司 | 2021-02-05 | — | — | CN | disclosed |