SCHEMBL7732112

SCHEMBL7732112

CC(C)(C)CC(C)(C)OC(=O)OC(C)(C)CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL21433588 0.87
SCHEMBL29013004 0.87 SOAT1 (0.33)
SCHEMBL15580929 0.85
SCHEMBL27338241 0.84
SCHEMBL1548667 0.84
SCHEMBL27364953 0.83 POLB (0.32) GAA
SCHEMBL28882620 0.82
SCHEMBL27338480 0.82 ALDH1A1 (0.33)
Water SCHEMBL28429694 0.81 POLB (0.31) GAA
SCHEMBL7360362 0.81 GAA (0.31) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101587-A1 CARRIERS FOR THE LOCAL RELEASE OF HYDROPHILIC PRODRUGS KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-08-02 WO disclosed
US-6399738-B1 OXIDATIVE CARBONYLATION OF AROMATIC HYDROXY COMPOUND WITH CARBON MONOXIDE AND OXYGEN IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-06-04 US disclosed