⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL8068700 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL12697346 | 0.74 | — | — | |
| SCHEMBL6129175 | 0.74 | ALDH1A1 (0.30) | — | |
| Ether SCHEMBL8838425 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL6175842 | 0.72 | — | — | |
| SCHEMBL1596086 | 0.71 | — | — | |
| SCHEMBL12889919 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL9750810 | 0.69 | TSHR (0.50) | — | |
| SCHEMBL9192589 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL4986973 | 0.69 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8951998-B2 | Quinoxaline-containing compounds as hepatitis C virus inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2015-02-10 | — | — | US | disclosed |