⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6708096 | 1.00 | — | — | |
| SCHEMBL28728387 | 0.79 | — | — | |
| SCHEMBL7868032 | 0.75 | — | — | |
| SCHEMBL22575579 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL2285676 | 0.71 | PPARG (0.58) | — | |
| SCHEMBL5889011 | 0.71 | — | — | |
| SCHEMBL585434 | 0.71 | — | — | |
| SCHEMBL4971321 | 0.71 | — | — | |
| SCHEMBL4971324 | 0.71 | — | — | |
| SCHEMBL18061197 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2295401-A2 | Deuterated hepatitis C protease inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-16 | — | — | EP | disclosed |
| WO-2007109080-A2 | DEUTERATED HEPATITIS C PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-27 | — | — | WO | disclosed |