⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1647597 | 0.80 | — | — | |
| SCHEMBL2487140 | 0.80 | — | — | |
| SCHEMBL2497821 | 0.78 | — | — | |
| SCHEMBL21409026 | 0.78 | — | — | |
| SCHEMBL376992 | 0.78 | — | — | |
| SCHEMBL2224543 | 0.78 | — | — | |
| SCHEMBL9637164 | 0.77 | — | — | |
| SCHEMBL5123125 | 0.77 | — | — | |
| SCHEMBL7298166 | 0.76 | — | — | |
| SCHEMBL3594415 | 0.76 | — | — |
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-114681443-B | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2024-05-10 | — | — | CN | disclosed |
| CN-116789648-A | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2023-09-22 | — | — | CN | disclosed |
| CN-114466838-B | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2023-05-02 | — | — | CN | disclosed |