⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14899065 | 1.00 | — | — | |
| SCHEMBL6137097 | 0.88 | EPHX1 (0.45) | — | |
| SCHEMBL31693593 | 0.84 | — | — | |
| SCHEMBL31693548 | 0.84 | — | — | |
| SCHEMBL28946315 | 0.81 | EPHX1 (0.44) | — | |
| SCHEMBL11772945 | 0.80 | HSD11B1 (0.31) | — | |
| SCHEMBL3706333 | 0.78 | EPHX1 (0.40) | — | |
| SCHEMBL28089108 | 0.77 | EPHX1 (0.43) | — | |
| SCHEMBL38651938 | 0.76 | EPHX1 (0.50) | — | |
| SCHEMBL38652299 | 0.76 | EPHX1 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023134730-A1 | AMIDE ANTIVIRAL COMPOUND | 先声再明医药有限公司 | 2023-07-20 | — | — | WO | disclosed |
| WO-2023125846-A1 | COMPOUND FOR PREVENTING AND TREATING CORONAVIRUS INFECTION, CONJUGATE THEREOF AND METHOD THEREFOR | 苏州爱科百发生物医药技术有限公司 | 2023-07-06 | — | — | WO | disclosed |
| CN-114681443-A | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2022-07-01 | — | — | CN | disclosed |
| CN-114466838-A | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2022-05-10 | — | — | CN | disclosed |