⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6109661 | 0.75 | — | — | |
| SCHEMBL1577450 | 0.75 | — | — | |
| SCHEMBL28295744 | 0.75 | — | — | |
| SCHEMBL30420165 | 0.75 | — | — | |
| SCHEMBL15469464 | 0.71 | — | — | |
| SCHEMBL2374756 | 0.71 | — | — | |
| SCHEMBL8651532 | 0.71 | — | — | |
| SCHEMBL14303621 | 0.71 | — | — | |
| SCHEMBL15261742 | 0.71 | — | — | |
| SCHEMBL1929811 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9029557-B2 | Labeled A4B2 ligands and methods therefor | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-05-12 | — | — | US | disclosed |
| WO-2014082379-A1 | SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF FIELD OF THE INVENTION | SUNSHINE LAKE PHARMA CO.,LTD. (CN) | 2014-06-05 | — | — | WO | disclosed |
| US-20140050663-A1 | Labeled A4B2 Ligands and Methods Therefor | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-02-20 | — | — | US | disclosed |