⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21146709 | 1.00 | — | — | |
| SCHEMBL14743735 | 0.80 | — | — | |
| SCHEMBL14743738 | 0.80 | — | — | |
| SCHEMBL14743736 | 0.80 | — | — | |
| SCHEMBL24819076 | 0.76 | — | — | |
| SCHEMBL24819081 | 0.76 | — | — | |
| SCHEMBL13093613 | 0.76 | — | — | |
| SCHEMBL1418206 | 0.76 | — | — | |
| SCHEMBL15592825 | 0.74 | — | — | |
| SCHEMBL13380077 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10577357-B2 | Inhibitors of LDLR-PCSK9 protein-protein interaction and methods of their use | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2020-03-03 | — | — | US | disclosed |
| US-20190211001-A1 | INHIBITORS OF LDLR-PCSK9 PROTEIN-PROTEIN INTERACTION AND METHODS OF THEIR USE | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2019-07-11 | — | — | US | disclosed |