⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23638849 | 0.79 | PPARG (0.33) | — | |
| SCHEMBL22924380 | 0.79 | PDE2A (0.30) | — | |
| SCHEMBL23692800 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL24525250 | 0.72 | — | — | |
| SCHEMBL15894770 | 0.71 | CYP4F2 (0.31) | — | |
| SCHEMBL24727549 | 0.70 | TP53 (0.35) | — | |
| SCHEMBL21757902 | 0.70 | — | — | |
| SCHEMBL17432855 | 0.70 | LOXL2 (0.32) | — | |
| SCHEMBL25503957 | 0.69 | RIPK1 (0.32) | — | |
| SCHEMBL23692791 | 0.69 | — | — |
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 3 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-2574610-A1 | Inhibitors of human immonodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2013-04-03 | — | — | EP | disclosed |