⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20342124 | 0.77 | — | — | |
| SCHEMBL12604446 | 0.76 | — | — | |
| SCHEMBL8256052 | 0.70 | DPP4 (0.35) | — | |
| SCHEMBL14366038 | 0.68 | KMT2A (0.37) | — | |
| SCHEMBL13286306 | 0.62 | CHRM2 (0.39) | — | |
| SCHEMBL867256 | 0.60 | — | — | |
| SCHEMBL19426391 | 0.58 | — | — | |
| SCHEMBL9531012 | 0.57 | — | — | |
| SCHEMBL8290773 | 0.57 | — | — | |
| SCHEMBL6656197 | 0.56 | MEN1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110117057-A1 | NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2011-05-19 | — | — | US | disclosed |
| US-20070032433-A1 | Novel peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. | 2007-02-08 | — | — | US | disclosed |