⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12808087 | 0.94 | CYP3A4 (0.32) | — | |
| SCHEMBL8245227 | 0.87 | ADRB3 (0.35) | — | |
| SCHEMBL12784601 | 0.87 | ADRB3 (0.34) | — | |
| SCHEMBL12808491 | 0.86 | F2 (0.34) | — | |
| SCHEMBL11976324 | 0.86 | ADRB3 (0.35) | — | |
| SCHEMBL8247848 | 0.86 | ADRB3 (0.35) | — | |
| SCHEMBL13059684 | 0.86 | ADRB3 (0.35) | — | |
| SCHEMBL13059689 | 0.85 | ADRB3 (0.35) | — | |
| SCHEMBL11976323 | 0.85 | ADRB3 (0.35) | — | |
| SCHEMBL12784090 | 0.84 | CTSB (0.37) | — |
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-2305698-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |