⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL314962 | 0.67 | — | — | |
| SCHEMBL20067383 | 0.66 | ENPP2 (0.36) | — | |
| SCHEMBL1809188 | 0.62 | — | — | |
| SCHEMBL4470294 | 0.62 | — | — | |
| SCHEMBL2165870 | 0.62 | — | — | |
| SCHEMBL128813 | 0.62 | — | — | |
| SCHEMBL290421 | 0.62 | — | — | |
| SCHEMBL34523 | 0.62 | — | — | |
| SCHEMBL4051693 | 0.61 | NOS2 (0.38) | — | |
| SCHEMBL31139482 | 0.60 | CCR1 (0.40) | — |
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-20170327517-A1 | Boronic Acid Inhibitors of HIV Protease | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-11-16 | — | — | US | disclosed |
| EP-3212196-A1 | BORONIC ACID INHIBITORS OF HIV PROTEASE | Wisconsin Alumni Research Foundation (US) | 2017-09-06 | — | — | EP | disclosed |
| US-9738664-B2 | Boronic acid inhibitors of HIV protease | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2017-08-22 | — | — | US | disclosed |
| WO-2016069955-A1 | BORONIC ACID INHIBITORS OF HIV PROTEASE | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2016-05-06 | — | — | WO | disclosed |
| US-20160122366-A1 | BORONIC ACID INHIBITORS OF HIV PROTEASE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-05-05 | — | — | US | disclosed |