⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL119359 | 0.83 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1394197 | 0.74 | EPHX1 (0.38) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3172297 | 0.71 | ALDH1A1 (0.41) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL2285727 | 0.71 | ALDH1A1 (0.41) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4150285 | 0.69 | ALDH1A1 (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1394198 | 0.69 | EPHX1 (0.31) | — | |
| SCHEMBL119360 | 0.69 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3361058 | 0.69 | EPHX1 (0.43) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1851236 | 0.69 | ALDH1A1 (0.39) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL27669034 | 0.69 | ALDH1A1 (0.39) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7649015-B2 | Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2010-01-19 | — | — | US | disclosed |
| EP-1509537-B9 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES INC (US) | 2007-11-14 | — | — | EP | disclosed |
| US-20070190523-A1 | Method and compositions for identifying anti-hiv therapeutic compounds | GILEAD SCIENCES, INC. | 2007-08-16 | — | — | US | disclosed |
| EP-1509537-B1 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES INC (US) | 2007-07-18 | — | — | EP | disclosed |
| EP-1575486-A4 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES INC (US) | 2007-02-28 | — | — | EP | disclosed |
| US-20070010489-A1 | Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds | GILEAD SCIENCES, INC. | 2007-01-11 | — | — | US | disclosed |
| EP-1711617-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005064008-A9 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES INC (US) | 2006-09-28 | — | — | WO | disclosed |
| US-20060115815-A1 | Method and compositions for identifying anti-hiv therapeutic compounds | GILEAD SCIENCES, INC. | 2006-06-01 | — | — | US | disclosed |
| US-20050239054-A1 | Method and compositions for identifying anti-HIV therapeutic compounds | GILEAD SCIENCES. INC. | 2005-10-27 | — | — | US | disclosed |
| US-20050209197-A1 | Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds | GILEAD SCIENCES, INC. | 2005-09-22 | — | — | US | disclosed |
| EP-1575486-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-09-21 | — | — | EP | disclosed |
| WO-2005064008-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-07-14 | — | — | WO | disclosed |
| EP-1509537-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2005-03-02 | — | — | EP | disclosed |
| US-20040121316-A1 | Method and compositions for identifying anti-HIV therapeutic compounds | GILEAD SCIENCES, INC. | 2004-06-24 | — | — | US | disclosed |
| WO-2003090690-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |
| WO-2003090691-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |