Acetoacetic Acid

Acetoacetic Acid

SCHEMBL11244946

CC(=O)CC(=O)O.Nc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
TSHR P16473 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
LMNA P02545 1/20 0.47
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 1/20 0.46
POLB P06746 1/20 0.45
F2 P00734 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
PRMT1 Q99873 1/20 0.43
CYP19A1 P11511 1/20 0.43
PKLR P30613 1/20 0.43
KAT6A Q92794 1/20 0.42

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
Acetic Acid SCHEMBL2280158 0.87 TSHR (0.81) ALDH1A1TSHRHSD17B10TDP1LMNA
Oxalic Acid SCHEMBL27261252 0.82 TSHR (0.85) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL29044 0.82 TSHR (1.00) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL1655356 0.82 TSHR (1.00) ALDH1A1TSHRHSD17B10TDP1LMNA
Acetoacetic Acid SCHEMBL11037151 0.81 TSHR (0.62) ALDH1A1TSHRTDP1LMNACA2
Alcohol SCHEMBL28195349 0.80 TSHR (0.81) ALDH1A1TSHRHSD17B10TDP1LMNA
Aniline SCHEMBL28185301 0.80 TSHR (0.88) ALDH1A1TSHRHSD17B10TDP1LMNA
Ammonia Solution, Strong SCHEMBL3850533 0.80 TSHR (0.96) ALDH1A1TSHRHSD17B10TDP1LMNA
Ammonia Solution, Strong SCHEMBL3850530 0.80 TSHR (0.96) ALDH1A1TSHRHSD17B10TDP1LMNA
Sulfuric Acid SCHEMBL8641555 0.80 TSHR (0.96) ALDH1A1TSHRHSD17B10TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348204-A COTTON, REGENERATED CELLULOSE, PAPER; TETRAKISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4225492-A Water-soluble disazo dyestuffs, prepared from unsymmetrical heterocyclic diamines CASSELLA AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4144231-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4143033-A WATER-SOLUBLE DISAZO DYESTUFFS CONTAINING A 2-PHENYL-BENZIMIDAZOLYL,-BENZOXAZOLYL OR-BENZTHIAZOLYL MIDDLE COMPONENT CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed