⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4722759 | 1.00 | — | — | |
| SCHEMBL12295867 | 1.00 | — | — | |
| SCHEMBL28719441 | 0.87 | CYP2D6 (0.41) | — | |
| SCHEMBL16164274 | 0.80 | TP53 (0.36) | — | |
| SCHEMBL1436203 | 0.79 | — | — | |
| SCHEMBL15664030 | 0.79 | — | — | |
| SCHEMBL16823439 | 0.79 | TP53 (0.40) | — | |
| SCHEMBL14952782 | 0.79 | — | — | |
| SCHEMBL21813723 | 0.79 | — | — | |
| SCHEMBL15664234 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014082379-A9 | SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF FIELD OF THE INVENTION | SUNSHINE LAKE PHARMA CO.,LTD. (CN) | 2016-02-25 | — | — | WO | disclosed |