⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6301151 | 0.78 | — | — | |
| SCHEMBL14954135 | 0.78 | — | — | |
| SCHEMBL1450032 | 0.61 | — | — | |
| SCHEMBL5961448 | 0.61 | — | — | |
| SCHEMBL1521441 | 0.61 | — | — | |
| SCHEMBL1521444 | 0.61 | — | — | |
| SCHEMBL8926696 | 0.61 | — | — | |
| SCHEMBL3193485 | 0.59 | — | — | |
| SCHEMBL11742812 | 0.59 | — | — | |
| SCHEMBL4450913 | 0.59 | — | — |
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-20140112870-A1 | NMR spectroscopy and MRI methods and systems | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-04-24 | — | — | US | disclosed |
| US-8513234-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-08-20 | — | — | US | disclosed |
| US-20130006099-A1 | COMPOSITIONS AND METHODS FOR METABOLIC IMAGING | IMAGNX, INC. | 2013-01-03 | — | — | US | disclosed |
| WO-2010042392-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2010-04-15 | — | — | WO | disclosed |
| US-20100087419-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-08 | — | — | US | disclosed |