⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11109858 | 0.70 | — | — | |
| SCHEMBL27453825 | 0.70 | — | — | |
| SCHEMBL11080754 | 0.70 | — | — | |
| SCHEMBL15424726 | 0.70 | — | — | |
| SCHEMBL11887165 | 0.70 | — | — | |
| SCHEMBL24331912 | 0.70 | — | — | |
| SCHEMBL4997559 | 0.70 | — | — | |
| SCHEMBL11109854 | 0.70 | — | — | |
| SCHEMBL20473419 | 0.69 | ADRA2A (0.32) | — | |
| SCHEMBL1273846 | 0.69 | ADRA2A (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8211891-B2 | Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2012-07-03 | — | — | US | disclosed |
| US-20090274657-A1 | DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. | 2009-11-05 | — | — | US | disclosed |