⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5907188 | 0.74 | CYP2C9 (0.32) | — | |
| SCHEMBL5907180 | 0.68 | AR (0.36) | — | |
| SCHEMBL6806240 | 0.61 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL5907185 | 0.60 | AR (0.33) | — | |
| SCHEMBL18242776 | 0.60 | CES2 (0.43) | — | |
| SCHEMBL25921954 | 0.59 | VKORC1 (0.38) | — | |
| SCHEMBL807556 | 0.59 | CES2 (0.41) | — | |
| SCHEMBL22048340 | 0.58 | DAO (0.40) | — | |
| SCHEMBL5907186 | 0.58 | CYP2C9 (0.40) | — | |
| SCHEMBL952999 | 0.57 | ADRA2A (0.52) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040092539-A1 | Substituted 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions containing them | COLLA PAOLO LA (IT) | 2004-05-13 | — | — | US | disclosed |
| EP-1343502-A2 | METHODS FOR INHIBITING THE TRANSMISSION OF HIV USING TOPICALLY APPLIED SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES | Idenix (Cayman) Limited (KY) | 2003-09-17 | — | — | EP | disclosed |
| US-6545007-B2 | Topically applying to the skin or epithelial tissue of a human an effective amount of a dihydro-alkyloxy-benzyl-oxopyrimidine compound for inhibiting sexual transmission of HIV | IDENIX (CAYMAN) LIMITED (KY) | 2003-04-08 | — | — | US | disclosed |
| US-20030008887-A1 | Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4-oxopyrimidines | IDENIX PHARMACEUTICALS INC. | 2003-01-09 | — | — | US | disclosed |
| WO-2002040021-A2 | METHODS FOR INHIBITING THE TRANSMISSION OF HIV USING TOPICALLY APPLIED SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES | IDENIX (CAYMAN) LIMITED (KY) | 2002-05-23 | — | — | WO | disclosed |
| EP-1098887-A1 | SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Novirio Pharmaceuticals Limited (KY) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000003998-A1 | SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | NOVIRIO PHARMACEUTICALS LIMITED (KY) | 2000-01-27 | — | — | WO | disclosed |