⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8249384 | 0.71 | F2 (0.37) | — | |
| SCHEMBL6382019 | 0.71 | F2 (0.37) | — | |
| SCHEMBL8244703 | 0.66 | HDAC4 (0.42) | — | |
| SCHEMBL19869647 | 0.66 | HDAC4 (0.38) | — | |
| SCHEMBL16258958 | 0.65 | OPRM1 (0.34) | — | |
| SCHEMBL19870556 | 0.63 | BIRC3 (0.36) | — | |
| SCHEMBL14248162 | 0.62 | — | — | |
| SCHEMBL7932107 | 0.62 | PPIA (0.33) | — | |
| SCHEMBL13951691 | 0.56 | — | — | |
| SCHEMBL13888863 | 0.55 | SSTR4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2177523-A1 | Novel macrocyclic inhibitors of hepatitis c virus replication | Intermune, Inc. (US) | 2010-04-21 | — | — | EP | disclosed |