⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7068555 | 0.68 | DAO (0.36) | — | |
| SCHEMBL21775961 | 0.68 | — | — | |
| SCHEMBL371534 | 0.67 | GSK3B (0.35) | — | |
| SCHEMBL28723184 | 0.67 | GSK3B (0.35) | — | |
| SCHEMBL7067216 | 0.61 | GABBR2 (0.40) | — | |
| SCHEMBL7069585 | 0.60 | CES2 (0.34) | — | |
| SCHEMBL7069962 | 0.60 | CES2 (0.34) | — | |
| SCHEMBL1696175 | 0.57 | — | — | |
| SCHEMBL22774795 | 0.57 | — | — | |
| SCHEMBL7072987 | 0.56 | DAO (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2691093-A1 | METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR | IDENIX Pharmaceuticals, Inc. (US) | 2014-02-05 | — | — | EP | disclosed |
| EP-2513113-A1 | 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS | IDENIX Pharmaceuticals, Inc. (US) | 2012-10-24 | — | — | EP | disclosed |
| WO-2012135581-A1 | METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR | IDENIX PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |
| WO-2011075615-A1 | 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2011-06-23 | — | — | WO | disclosed |