⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10260850 | 0.93 | MC4R (0.30) | — | |
| SCHEMBL10293067 | 0.86 | DRD2 (0.36) | — | |
| SCHEMBL10292816 | 0.83 | SLC6A3 (0.38) | — | |
| SCHEMBL10293083 | 0.83 | SLC6A3 (0.38) | — | |
| SCHEMBL10292896 | 0.82 | SLC6A3 (0.37) | — | |
| SCHEMBL10292922 | 0.82 | SLC6A3 (0.37) | — | |
| SCHEMBL10293179 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL10260607 | 0.79 | DRD2 (0.36) | — | |
| SCHEMBL10292921 | 0.79 | — | — | |
| SCHEMBL7998573 | 0.79 | PRMT6 (0.36) | — |
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 |