⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15219816 | 0.84 | — | — | |
| SCHEMBL12401210 | 0.82 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL12401380 | 0.82 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL24567512 | 0.77 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL12401401 | 0.76 | CYP2C9 (0.42) | — | |
| SCHEMBL12401170 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL4741694 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL19318531 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL12401204 | 0.73 | MMP1 (0.39) | — | |
| SCHEMBL12401071 | 0.71 | ALDH1A1 (0.37) | — |
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-8372873-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-12 | — | — | US | disclosed |
| US-20110182856-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-28 | — | — | US | disclosed |
| US-7964624-B1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-21 | — | — | US | disclosed |