⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8185437 | 0.89 | ADRB3 (0.31) | — | |
| SCHEMBL8247433 | 0.84 | — | — | |
| SCHEMBL11983990 | 0.81 | CYP3A4 (0.36) | — | |
| SCHEMBL13711271 | 0.80 | DPP8 (0.30) | — | |
| SCHEMBL14020644 | 0.80 | — | — | |
| SCHEMBL6760157 | 0.79 | CTSB (0.31) | — | |
| SCHEMBL2837629 | 0.79 | CTSB (0.31) | — | |
| SCHEMBL8245129 | 0.79 | CTSB (0.31) | — | |
| SCHEMBL2837626 | 0.79 | CTSB (0.31) | — | |
| SCHEMBL12730861 | 0.78 | ADRB3 (0.34) | — |
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-2103623-A2 | Novel macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |