⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11881482 | 0.80 | — | — | |
| SCHEMBL1446000 | 0.72 | — | — | |
| SCHEMBL8956995 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL9285224 | 0.70 | — | — | |
| SCHEMBL1445859 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL4243337 | 0.69 | — | — | |
| SCHEMBL170265 | 0.69 | — | — | |
| SCHEMBL6396783 | 0.67 | — | — | |
| SCHEMBL2210959 | 0.67 | — | — | |
| SCHEMBL2306569 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1993994-A2 | DEUTERATED HEPATITIS C PROTEASE INHIBITORS | Vertex Pharmceuticals Incorporated (US) | 2008-11-26 | — | — | EP | claimed |
| WO-2007109080-A2 | DEUTERATED HEPATITIS C PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-27 | — | — | WO | claimed |
| EP-1993994-A2 | DEUTERATED HEPATITIS C PROTEASE INHIBITORS | Vertex Pharmceuticals Incorporated (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007109080-A2 | DEUTERATED HEPATITIS C PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-27 | — | — | WO | disclosed |