⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL199019 | 0.67 | MAPK14 (0.32) | — | |
| SCHEMBL6451753 | 0.67 | — | — | |
| SCHEMBL7801495 | 0.67 | PDE4B (0.34) | — | |
| SCHEMBL14379389 | 0.65 | ITGA4 (0.34) | — | |
| SCHEMBL8229679 | 0.62 | ADAM10 (0.34) | — | |
| SCHEMBL10154239 | 0.62 | MRGPRX2 (0.50) | — | |
| Succinic Acid SCHEMBL2849111 | 0.61 | MAPK14 (0.32) | — | |
| SCHEMBL18723458 | 0.58 | — | — | |
| SCHEMBL8549931 | 0.58 | — | — | |
| SCHEMBL13774864 | 0.58 | ITGA4 (0.35) | — |
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-2495249-A1 | Tertiary amine substituted peptides useful as inhibitors of HCV replication | Achillion Pharmaceuticals, Inc. (US) | 2012-09-05 | — | — | EP | disclosed |