⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12726004 | 0.93 | — | — | |
| SCHEMBL12765225 | 0.91 | ELANE (0.40) | — | |
| SCHEMBL3761797 | 0.90 | CYP3A4 (0.45) | — | |
| SCHEMBL1635117 | 0.90 | CYP3A4 (0.45) | — | |
| SCHEMBL1635115 | 0.90 | CYP3A4 (0.45) | — | |
| SCHEMBL3761800 | 0.90 | CYP3A4 (0.45) | — | |
| SCHEMBL12726003 | 0.90 | CYP3A4 (0.50) | — | |
| SCHEMBL12726025 | 0.89 | ADORA3 (0.39) | — | |
| SCHEMBL8117106 | 0.88 | CFD (0.43) | — | |
| SCHEMBL12765143 | 0.86 | — | — |
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-7932277-B2 | Peptide inhibitors of hepatitis C virus replication | INTERMUNE, INC. (US) | 2011-04-26 | — | — | US | disclosed |
| US-20090297476-A1 | NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-12-03 | — | — | US | disclosed |