⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7876253 | 0.90 | — | — | |
| SCHEMBL13864364 | 0.90 | — | — | |
| SCHEMBL8461432 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3170567 | 0.83 | SLC6A2 (0.33) | — | |
| SCHEMBL7875657 | 0.80 | — | — | |
| SCHEMBL797967 | 0.79 | CYP4F2 (0.31) | — | |
| SCHEMBL13864436 | 0.79 | — | — | |
| SCHEMBL23270098 | 0.77 | — | — | |
| SCHEMBL17233053 | 0.77 | — | — | |
| SCHEMBL18023047 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2429568-B1 | MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARM INC (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2010132163-A1 | MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2010-11-18 | — | — | WO | disclosed |