⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23693409 | 0.80 | — | — | |
| SCHEMBL19299765 | 0.78 | — | — | |
| SCHEMBL24773785 | 0.77 | — | — | |
| SCHEMBL18059180 | 0.77 | CYP3A4 (0.37) | — | |
| SCHEMBL23201472 | 0.75 | — | — | |
| SCHEMBL23693410 | 0.74 | — | — | |
| SCHEMBL25011790 | 0.74 | IDO1 (0.39) | — | |
| SCHEMBL22924380 | 0.74 | PDE2A (0.30) | — | |
| SCHEMBL23638849 | 0.74 | PPARG (0.33) | — | |
| SCHEMBL24874118 | 0.73 | MEN1 (0.32) | — |
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-2757096-A9 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2014-11-26 | — | — | EP | disclosed |
| EP-2757096-A1 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2014-07-23 | — | — | EP | disclosed |
| EP-2220084-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | GILEAD SCIENCES INC (US) | 2014-02-19 | — | — | EP | disclosed |
| EP-2574610-A1 | Inhibitors of human immonodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2013-04-03 | — | — | EP | disclosed |