⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16158874 | 1.00 | — | — | |
| SCHEMBL108283 | 1.00 | — | — | |
| SCHEMBL1782638 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL8059213 | 0.82 | — | — | |
| SCHEMBL1782201 | 0.78 | KISS1R (0.32) | — | |
| SCHEMBL1785002 | 0.78 | SLC1A3 (0.35) | — | |
| SCHEMBL1782828 | 0.78 | KISS1R (0.37) | — | |
| SCHEMBL361589 | 0.77 | — | — | |
| SCHEMBL1336542 | 0.77 | — | — | |
| SCHEMBL185354 | 0.77 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9656968-B2 | Pyrimidines as sodium channel blockers | PURDUE PHARMA L.P. | 2017-05-23 | — | — | US | disclosed |
| US-20160024022-A1 | PYRIMIDINES AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2016-01-28 | — | — | US | disclosed |
| US-9163008-B2 | Pyrimidines as sodium channel blockers | PURDUE PHARMA, L.P. (US) | 2015-10-20 | — | — | US | disclosed |
| US-20140303139-A1 | PYRIMIDINES AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. | 2014-10-09 | — | — | US | disclosed |
| US-8268777-B2 | Oximyl macrocyclic derivatives | ENANTA PHARMACEUTICALS, INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-8193346-B2 | Process for making macrocyclic oximyl hepatitis C protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-20090191153-A1 | OXIMYL MACROCYCLIC DERIVATIVES | ENANTA PHARMACEUTICALS, INC. | 2009-07-30 | — | — | US | disclosed |
| US-20090156800-A1 | PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. | 2009-06-18 | — | — | US | disclosed |
| WO-2009073780-A1 | PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-06-11 | — | — | WO | disclosed |
| WO-2006007700-A1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-26 | — | — | WO | disclosed |