⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16424984 | 0.77 | — | — | |
| SCHEMBL12266202 | 0.76 | — | — | |
| SCHEMBL6023567 | 0.71 | — | — | |
| SCHEMBL2923385 | 0.63 | IDH1 (0.42) | — | |
| SCHEMBL8502878 | 0.63 | NOTUM (0.44) | — | |
| SCHEMBL15137729 | 0.59 | — | — | |
| SCHEMBL16424950 | 0.59 | — | — | |
| SCHEMBL11681752 | 0.57 | — | — | |
| SCHEMBL981709 | 0.56 | — | — | |
| SCHEMBL1900034 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2402009-A1 | Inhibitors of serine protease, particularly hepatitis c virus NS3-NS4A protease, incorporating a fused ring system | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-04 | — | — | EP | disclosed |