⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13864564 | 0.91 | — | — | |
| SCHEMBL13864442 | 0.91 | — | — | |
| SCHEMBL797967 | 0.85 | CYP4F2 (0.31) | — | |
| SCHEMBL13864436 | 0.85 | — | — | |
| SCHEMBL13864579 | 0.76 | — | — | |
| SCHEMBL11981997 | 0.76 | — | — | |
| SCHEMBL7875657 | 0.76 | — | — | |
| SCHEMBL7877043 | 0.75 | — | — | |
| SCHEMBL8029226 | 0.74 | CYP1A2 (0.32) | — | |
| SCHEMBL8467735 | 0.74 | — | — |
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-2009064975-A1 | QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-05-22 | — | — | WO | disclosed |