⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11664688 | 0.87 | TSHR (0.59) | — | |
| SCHEMBL11662820 | 0.85 | TSHR (0.40) | — | |
| SCHEMBL10394003 | 0.84 | TSHR (0.42) | — | |
| SCHEMBL11849227 | 0.78 | TSHR (0.48) | — | |
| SCHEMBL17715108 | 0.77 | TSHR (0.70) | — | |
| SCHEMBL6208050 | 0.76 | — | — | |
| SCHEMBL28982628 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL9187735 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL9189946 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL28982633 | 0.72 | HIF1A (0.35) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160115120-A1 | METHOD FOR THE CONTROLLED HYDROFORMYLATION AND ISOMERIZATION OF A NITRILE/ESTER/OMEGA UNSATURATED FATTY ACID | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-04-28 | — | — | US | disclosed |
| US-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |
| 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-20090042973-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-12 | — | — | 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-7442718-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-28 | — | — | US | disclosed |
| US-7442718-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-28 | — | — | US | 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-20020198388-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2002-12-26 | — | — | US | disclosed |
| EP-1159278-A2 | INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2001-12-05 | — | — | EP | disclosed |
| US-6319946-B1 | BENZODIOXOLYLSULFONAMIDES; INHIBITING HIV-1 AND HIV-2 PROTEASE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED | 2001-11-20 | — | — | US | disclosed |
| WO-2000047551-A2 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2000-08-17 | — | — | WO | disclosed |
| EP-0452693-B1 | Method of preparing 2,2-disubstituted pentane 1,5-diamines | BASF AG (DE) | 1995-10-04 | — | — | EP | disclosed |
| US-5166443-A | PREPARATION OF 2,2-DISUBSTITUTED PENTANE-1,5-DIAMINES | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-24 | — | — | US | disclosed |
| EP-0452693-A1 | Method of preparing 2,2-disubstituted pentane 1,5-diamines | BASF Aktiengesellschaft (DE) | 1991-10-23 | — | — | EP | disclosed |