⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10308723 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL14003862 | 0.78 | — | — | |
| SCHEMBL20995928 | 0.78 | MAPK1 (0.42) | — | |
| SCHEMBL13539110 | 0.78 | — | — | |
| SCHEMBL29690528 | 0.76 | — | — | |
| SCHEMBL25459934 | 0.74 | MAPK1 (0.30) | — | |
| SCHEMBL25459933 | 0.74 | MAPK1 (0.30) | — | |
| SCHEMBL29690434 | 0.73 | HSD17B10 (0.41) | — | |
| SCHEMBL18027545 | 0.72 | — | — | |
| SCHEMBL13073551 | 0.72 | — | — |
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-8377960-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-20110028464-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) | 2011-02-03 | — | — | US | disclosed |