⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL131012 | 0.71 | THRB (0.44) | — | |
| SCHEMBL5649196 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL132624 | 0.67 | — | — | |
| SCHEMBL7689332 | 0.63 | MEN1 (0.32) | — | |
| SCHEMBL134247 | 0.63 | ADRB2 (0.38) | — | |
| SCHEMBL1628259 | 0.62 | — | — | |
| SCHEMBL2048554 | 0.62 | — | — | |
| SCHEMBL151448 | 0.62 | — | — | |
| SCHEMBL5407802 | 0.61 | — | — | |
| SCHEMBL8892868 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071546-B | Pyrazolo [1,5-A ] pyrazin-4-yl derivatives as JAK inhibitors | 辉瑞大药厂 | 2021-03-02 | — | — | CN | disclosed |