Acetoacetic Acid

Acetoacetic Acid

SCHEMBL7213762

CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CCCCO[Zr+3]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.39
CES2 O00748 2/20 0.37
ATM Q13315 1/20 0.35
CA2 P00918 3/20 0.35
CES1 P23141 2/20 0.34
TSHR P16473 2/20 0.34
ACHE P22303 2/20 0.34
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HPGD P15428 1/20 0.33
CA4 P22748 1/20 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
SCHEMBL27755229 0.87 ALDH1A1 (0.41) ALDH1A1CA1CES2ATMCA2
SCHEMBL27641659 0.83 CA1 (0.38) ALDH1A1CA1CES2ATMCA2
SCHEMBL1360556 0.81 CA1 (0.41) ALDH1A1CA1CES2ATMCA2
Butyric Acid SCHEMBL29997268 0.80 FFAR3 (0.58) ALDH1A1CA1CES2CA2CES1
Acetoacetic Acid SCHEMBL27893162 0.79 ALDH1A1 (0.41) ALDH1A1CA1CES2ATMCA2
Acetoacetic Acid SCHEMBL5581216 0.79 ALDH1A1 (0.41) ALDH1A1CA1CES2ATMCA2
SCHEMBL7937647 0.79 CA1 (0.34) ALDH1A1CA1CES2ATMCA2
Acetoacetic Acid SCHEMBL28368747 0.78 CA1 (0.43) CA1CES2CES1FFAR3HDAC3
Stearic Acid SCHEMBL27755231 0.77 FABP3 (0.56) CA1CES2CES1
SCHEMBL7642082 0.76 ALDH1A1 (0.41) ALDH1A1CA1CES2ATMCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62227477-A None JP disclosed
US-6620567-B2 Multilayer; electroconductive substrate; layer containing light absorbing particles KONICA CORPORATION (JP) 2003-09-16 US disclosed
US-6472113-B2 INTERMEDIATE LAYER CONTAINING N-TYPE SEEMICONDUCTIVE FINE PARTICLES AND A BINDER RESIN; PARTICLES HAVE BEEN SUBJECTED TO PLURAL SURFACE TREATMENTS, THE FINAL ONE EMPLOYING A REACTIVE ORGANOSILICON COMPOUND KONICA CORPORATION 2002-10-29 US disclosed
US-20020142239-A1 Electrophotographic photoreceptor, image forming apparatus and processing cartridge KONICA CORPORATION (JP) 2002-10-03 US disclosed
US-20010044063-A1 Electrophotoreceptor, image forming apparatus and processing cartridge KONICA CORPORATION (JP) 2001-11-22 US disclosed
JP-S62227477-A PRODUCTION OF ZIRCONIA MEMBRANE KAWAI MUSICAL INSTR MFG CO LTD 1987-10-06 JP disclosed