⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8142742 | 0.86 | CYP3A4 (0.40) | — | |
| SCHEMBL8140808 | 0.79 | CYP3A4 (0.39) | — | |
| SCHEMBL13757916 | 0.74 | ADRB3 (0.40) | — | |
| SCHEMBL3373349 | 0.74 | ADRB3 (0.40) | — | |
| SCHEMBL8148186 | 0.70 | CYP3A4 (0.37) | — | |
| SCHEMBL3809700 | 0.68 | ADRB3 (0.49) | — | |
| SCHEMBL13757917 | 0.68 | ADRB3 (0.49) | — | |
| SCHEMBL3809694 | 0.68 | ADRB3 (0.49) | — | |
| SCHEMBL8141694 | 0.67 | CYP3A4 (0.47) | — | |
| SCHEMBL8143213 | 0.65 | CYP3A4 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140051626-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2014-02-20 | — | — | US | disclosed |
| US-8513186-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2013-08-20 | — | — | US | disclosed |
| US-8513186-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2013-08-20 | — | — | US | disclosed |
| US-20090186869-A1 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2009-07-23 | — | — | US | disclosed |
| US-20090186869-A1 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2009-07-23 | — | — | US | disclosed |