⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1798786 | 0.80 | — | — | |
| SCHEMBL189550 | 0.74 | — | — | |
| SCHEMBL9605756 | 0.74 | — | — | |
| SCHEMBL12943440 | 0.74 | — | — | |
| SCHEMBL15691537 | 0.74 | — | — | |
| SCHEMBL12837178 | 0.74 | — | — | |
| Water SCHEMBL9832507 | 0.71 | — | — | |
| SCHEMBL975833 | 0.71 | — | — | |
| SCHEMBL692856 | 0.67 | — | — | |
| SCHEMBL848613 | 0.67 | — | — |
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-9499558-B2 | Compounds and methods for treating HIV | PURDUE RESEARCH FOUNDATION (US) | 2016-11-22 | — | — | US | disclosed |
| US-20150225414-A1 | COMPOUNDS AND METHODS FOR TREATING HIV | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-08-13 | — | — | US | disclosed |
| US-9024038-B2 | Compunds and methods for treating HIV | PURDUE RESEARCH FOUNDATION (US) | 2015-05-05 | — | — | US | disclosed |
| US-20130289067-A1 | COMPOUNDS AND METHODS FOR TREATING HIV | PURDUE RESEARCH FOUNDATION | 2013-10-31 | — | — | US | disclosed |
| WO-2012092168-A1 | FUSED 6,5 BICYCLIC RING SYSTEM P2 LIGANDS, AND METHODS FOR TREATING HIV | PURDUE RESEARCH FOUNDATION (US) | 2012-07-05 | — | — | WO | disclosed |