⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19483343 | 1.00 | — | — | |
| SCHEMBL19103704 | 0.84 | GRIK1 (0.34) | — | |
| SCHEMBL14297906 | 0.82 | CNR2 (0.33) | — | |
| SCHEMBL19487467 | 0.79 | DPP4 (0.31) | — | |
| SCHEMBL22541602 | 0.79 | ENPP2 (0.32) | — | |
| SCHEMBL22541555 | 0.79 | — | — | |
| SCHEMBL21938563 | 0.79 | — | — | |
| SCHEMBL11929974 | 0.77 | — | — | |
| SCHEMBL11929951 | 0.76 | — | — | |
| SCHEMBL11929964 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170298097-A1 | Peptide Derivatives and Uses Thereof | NOSOPHARM (FR) | 2017-10-19 | — | — | US | disclosed |
| US-20140056847-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-27 | — | — | US | disclosed |
| US-20130177531-A1 | Inhibitors of Serine Proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-07-11 | — | — | US | disclosed |
| US-20110171175-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-14 | — | — | US | disclosed |
| US-20070105781-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-05-10 | — | — | US | disclosed |