⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8223794 | 0.88 | ADRB3 (0.34) | — | |
| SCHEMBL8247064 | 0.88 | DPP4 (0.34) | — | |
| SCHEMBL8212674 | 0.88 | ADRB3 (0.34) | — | |
| SCHEMBL8246630 | 0.88 | — | — | |
| SCHEMBL3470908 | 0.85 | GAA (0.34) | — | |
| SCHEMBL3470904 | 0.85 | GAA (0.34) | — | |
| SCHEMBL8178608 | 0.80 | — | — | |
| SCHEMBL8247433 | 0.80 | — | — | |
| SCHEMBL7923920 | 0.79 | ADRB3 (0.31) | — | |
| SCHEMBL7928356 | 0.79 | ADRB3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008137779-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2008-11-13 | — | — | WO | disclosed |