⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2804392 | 0.71 | — | — | |
| SCHEMBL29201703 | 0.71 | — | — | |
| SCHEMBL820059 | 0.69 | — | — | |
| SCHEMBL3482507 | 0.69 | — | — | |
| SCHEMBL150610 | 0.67 | — | — | |
| SCHEMBL29546374 | 0.67 | — | — | |
| SCHEMBL10790404 | 0.67 | — | — | |
| SCHEMBL7547626 | 0.65 | — | — | |
| SCHEMBL10389776 | 0.65 | — | — | |
| SCHEMBL10390606 | 0.65 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-20090042973-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-12 | — | — | US | disclosed |
| US-7442718-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-28 | — | — | US | disclosed |
| US-7071201-B2 | Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline | EISAI CO., LTD. (JP) | 2006-07-04 | — | — | US | disclosed |
| EP-1637518-A2 | Inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1159278-B1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMA (US) | 2005-11-30 | — | — | EP | disclosed |
| US-20040127488-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2004-07-01 | — | — | US | disclosed |
| US-6617350-B2 | Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity | VERTEX PHARMACEUTICALS INCORPORATED | 2003-09-09 | — | — | US | disclosed |
| US-6579881-B2 | Indoles | EISAI CO., LTD. (JP) | 2003-06-17 | — | — | US | disclosed |
| US-20020198388-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2002-12-26 | — | — | US | disclosed |
| US-20020086999-A1 | Certain quinoline derivatives | EISAI CO., LTD. | 2002-07-04 | — | — | US | disclosed |
| US-20020019531-A1 | Indoles | EISAI CO., LTD. | 2002-02-14 | — | — | US | disclosed |
| US-6319946-B1 | BENZODIOXOLYLSULFONAMIDES; INHIBITING HIV-1 AND HIV-2 PROTEASE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED | 2001-11-20 | — | — | US | disclosed |