⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10292824 | 0.95 | — | — | |
| SCHEMBL10292818 | 0.94 | — | — | |
| SCHEMBL10292825 | 0.91 | — | — | |
| SCHEMBL10260610 | 0.89 | ABCB1 (0.30) | — | |
| SCHEMBL10292773 | 0.86 | — | — | |
| SCHEMBL10260980 | 0.84 | — | — | |
| SCHEMBL10260300 | 0.83 | — | — | |
| SCHEMBL10292820 | 0.81 | SPHK2 (0.32) | — | |
| SCHEMBL10293087 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL10292931 | 0.81 | SPHK2 (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 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 |