SCHEMBL6552536

SCHEMBL6552536

CCC(=O)CC(=O)[O-].CCCC[O-].CCCC[O-].[Al+3]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA4 P22748 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HAO1 Q9UJM8 1/20 0.34
FABP3 P05413 2/20 0.33

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
SCHEMBL5159279 0.96 CA1 (0.41) CA1CA4TDP1CES2CES1
SCHEMBL829312 0.89 CA4 (0.41) CA1CA4TDP1CES2CES1
SCHEMBL1224479 0.86 CA1 (0.45) CA1CES2CES1FFAR3HDAC3
SCHEMBL6651578 0.86 CA1 (0.45) CA1CES2CES1FFAR3HDAC3
SCHEMBL28256671 0.84 CA4 (0.45) CA1CA4TDP1FFAR3HDAC3
Propionic Acid SCHEMBL3115354 0.84 CA1 (0.50) CA1CES2CES1FFAR3HDAC3
Propionic Acid SCHEMBL9548175 0.84 CA1 (0.50) CA1CES2CES1FFAR3HDAC3
SCHEMBL3802494 0.84 CA4 (0.50) CA1CA4TDP1CES2CES1
SCHEMBL9332540 0.82 CA4 (0.47) CA1CA4TDP1FFAR3HDAC3
SCHEMBL1681965 0.82 CA1 (0.45) CA1CES2CES1FFAR3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1046496-B1 Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates FUJI PHOTO FILM CO LTD (JP) 2004-02-18 EP disclosed
US-6420083-B1 EXCELLENT SENSITIVITY; DOES NOT REQUIRE WET DEVELOPMENT; HYDROPHILIC GROUPS IN POLYMER COORDINATE WITH THE POLYVALENT METAL CATION RELEASED BY HEAT AND FORM A HYDROPHOBIC POLYMER FUJI PHOTO FILM CO., LTD. (JP) 2002-07-16 US disclosed
EP-1046496-A1 Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 2000-10-25 EP disclosed