SCHEMBL5972013

SCHEMBL5972013

CCCc1nc(-c2ccccc2)c(C)c(-c2ccc(F)cc2)c1C=CP(=O)(O)C[C@@H](O)CC(=O)O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8952864 0.93
SCHEMBL8952885 0.93
SCHEMBL8952877 0.93
SCHEMBL5053631 0.86
SCHEMBL5053625 0.86
SCHEMBL5053627 0.86
SCHEMBL8952803 0.86 NR1I2 (0.53)
SCHEMBL8952812 0.86 NR1I2 (0.53)
SCHEMBL8952817 0.86 NR1I2 (0.53)
SCHEMBL27508395 0.86

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385501-A2 PROBUCOL MONOESTERS AND THEIR USE TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY Atherogenics, Inc. (US) 2004-02-04 EP claimed
WO-2002087556-A2 PROBUCOL MONOESTERS AND THEIR USE TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY ATHEROGENICS, INC. (US) 2002-11-07 WO claimed
EP-1551791-A4 NOVEL SALT FORMS OF POORLY SOLUBLE PROBUCOL ESTERS AND ETHERS ATHEROGENICS INC (US) 2006-06-14 EP disclosed
EP-1551791-A1 NOVEL SALT FORMS OF POORLY SOLUBLE PROBUCOL ESTERS AND ETHERS Atherogenics, Inc. (US) 2005-07-13 EP disclosed
EP-1451138-A4 METHODS OF REVERSING AND PREVENTING CARDIOVASCULAR PATHOLOGIES ATHEROGENICS INC (US) 2005-06-15 EP disclosed
EP-1451138-A2 METHODS OF REVERSING AND PREVENTING CARDIOVASCULAR PATHOLOGIES Atherogenics, Inc. (US) 2004-09-01 EP disclosed
WO-2004024094-A2 METHODS AND COMPOSITONS FOR THE USE OF D-MALIC ACID TO DECREASE SERUM TRIGLYCERIDE, CHOLESTEROL, AND LIPOPROTEIN LEVELS SAMFORD UNIVERSITY (US) 2004-03-25 WO disclosed
EP-1385501-A2 PROBUCOL MONOESTERS AND THEIR USE TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY Atherogenics, Inc. (US) 2004-02-04 EP disclosed
WO-2004007423-A1 NOVEL SALT FORMS OF POORLY SOLUBLE PROBUCOL ESTERS AND ETHERS ATHEROGENICS, INC. (US) 2004-01-22 WO disclosed
WO-2003039352-A2 METHODS OF REVERSING AND PREVENTING CARDIOVASCULAR PATHOLOGIES ATHEROGENICS, INC. (US) 2003-05-15 WO disclosed
WO-2002087556-A9 PROBUCOL MONOESTERS AND THEIR USE TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY ATHEROGENICS INC (US) 2003-03-20 WO disclosed
EP-1272465-A2 COMPOUNDS AND METHODS TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY Atherogenics, Inc. (US) 2003-01-08 EP disclosed
WO-2002087556-A2 PROBUCOL MONOESTERS AND THEIR USE TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY ATHEROGENICS, INC. (US) 2002-11-07 WO disclosed
WO-2001077072-A2 COMPOUNDS AND METHODS TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY ATHEROGENICS, INC. (US) 2001-10-18 WO disclosed