⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL108319 | 1.00 | — | — | |
| SCHEMBL10140840 | 1.00 | — | — | |
| SCHEMBL16845466 | 0.82 | — | — | |
| SCHEMBL16845477 | 0.82 | — | — | |
| SCHEMBL16845470 | 0.82 | — | — | |
| SCHEMBL16845476 | 0.82 | — | — | |
| SCHEMBL9463777 | 0.79 | CYP2C9 (0.46) | — | |
| SCHEMBL638214 | 0.78 | CES2 (0.41) | — | |
| SCHEMBL106608 | 0.78 | CES2 (0.41) | — | |
| SCHEMBL109793 | 0.78 | TSHR (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2318377-B1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH INC (US) | 2013-08-21 | — | — | EP | disclosed |
| US-7910587-B2 | Quinoxalinyl dipeptide hepatitis C virus inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2011-03-22 | — | — | US | disclosed |
| US-7511157-B2 | racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-31 | — | — | US | disclosed |
| US-20080292587-A1 | OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. | 2008-11-27 | — | — | US | disclosed |
| US-20080267918-A1 | QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. | 2008-10-30 | — | — | US | disclosed |
| WO-2004099200-A1 | ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | PFIZER PRODUCTS INC. (US) | 2004-11-18 | — | — | WO | disclosed |