⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7991131 | 1.00 | — | — | |
| SCHEMBL7578650 | 1.00 | — | — | |
| SCHEMBL13864402 | 1.00 | — | — | |
| SCHEMBL1937461 | 0.77 | — | — | |
| SCHEMBL28109677 | 0.76 | — | — | |
| SCHEMBL7578643 | 0.76 | — | — | |
| SCHEMBL31589409 | 0.74 | — | — | |
| SCHEMBL27843327 | 0.74 | — | — | |
| SCHEMBL6722002 | 0.72 | — | — | |
| SCHEMBL3418630 | 0.71 | — | — |
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-2009117594-A1 | FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |