⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18996983 | 0.79 | — | — | |
| SCHEMBL3402859 | 0.69 | — | — | |
| SCHEMBL22142394 | 0.69 | — | — | |
| SCHEMBL22142194 | 0.69 | — | — | |
| SCHEMBL20664784 | 0.64 | — | — | |
| SCHEMBL25350207 | 0.60 | MAPK1 (0.35) | — | |
| SCHEMBL20073989 | 0.59 | — | — | |
| SCHEMBL24231383 | 0.59 | — | — | |
| SCHEMBL22142199 | 0.59 | — | — | |
| SCHEMBL22142819 | 0.57 | — | — |
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-9669027-B2 | Hepatitis C virus inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2017-06-06 | — | — | US | disclosed |
| US-20160038483-A1 | HEPATITIS C VIRUS INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-02-11 | — | — | US | disclosed |