⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4793431 | 1.00 | — | — | |
| SCHEMBL13071401 | 0.88 | MEN1 (0.42) | — | |
| SCHEMBL19312016 | 0.88 | — | — | |
| SCHEMBL30251348 | 0.87 | MEN1 (0.42) | — | |
| SCHEMBL10070322 | 0.87 | MEN1 (0.42) | — | |
| SCHEMBL6912355 | 0.87 | — | — | |
| SCHEMBL8226423 | 0.86 | CFD (0.46) | — | |
| SCHEMBL12053209 | 0.86 | CYP3A4 (0.58) | — | |
| SCHEMBL12054695 | 0.86 | CYP3A4 (0.58) | — | |
| SCHEMBL14318742 | 0.85 | CYP3A4 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016127859-A1 | COMPOUNDS AS HEPATITIS C INHIBITORS AND USES THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-08-18 | — | — | WO | disclosed |
| WO-2011034518-A1 | HCV PROTEASE INHIBITORS | TAIGEN BIOTECHNOLOGY CO., LTD. (TW) | 2011-03-24 | — | — | WO | disclosed |