Acetoacetic Acid

Acetoacetic Acid

SCHEMBL9633739

C=CC(=O)O.CC(=O)CC(=O)O.CCC(O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31
SLC15A2 Q16348 1/20 0.30

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
Acetoacetic Acid SCHEMBL7747946 0.87 ALOX15 (0.56) ALOX15HSD17B10LMNAKDM4EKDM6B
Acetoacetic Acid SCHEMBL3909150 0.87 KDM4E (0.42) LMNAKDM4EKDM6BKDM5CEGLN1
Acetoacetic Acid SCHEMBL1023325 0.87 ALOX15 (0.56) ALOX15HSD17B10LMNAKDM4EKDM6B
Acetoacetic Acid SCHEMBL3627073 0.87 KDM4E (0.42) LMNAKDM4EKDM6BKDM5CEGLN1
Acetoacetic Acid SCHEMBL867995 0.87 ALOX15 (0.41) ALOX15HSD17B10LMNAKDM4EKDM6B
Acetoacetic Acid SCHEMBL29000066 0.85 ALOX15 (0.54) ALOX15HSD17B10LMNAKDM4EKDM6B
Acrylic Acid SCHEMBL15238235 0.85 LMNA (0.56) ALOX15HSD17B10LMNATSHRALDH1A1
Acrylic Acid SCHEMBL30480959 0.85 LMNA (0.56) ALOX15HSD17B10LMNATSHRALDH1A1
Acrylic Acid SCHEMBL767124 0.85 LMNA (0.56) ALOX15HSD17B10LMNATSHRALDH1A1
Acetoacetic Acid SCHEMBL5799051 0.82 ALOX15 (0.44) ALOX15HSD17B10LMNAKDM4EKDM6B

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-0305212-B1 PROCESS FOR MICROENCAPSULATION, USES OF POLYMERS PREPARED BY SAID PROCESS, AND COMPOSITIONS CONTAINING POLYMERS PREPARED BY SAID PROCESS ROHM AND HAAS COMPANY (US) 1992-05-06 EP disclosed
US-4260515-A ADDITION POLYMERS CONTAINING ACETYLACETATE GROUPS CROSSLINKED WITHN-METHYLOLMELAMINES OR ETHERS THEREOF BASF AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4172119-A N-TRIDECYL-2.6-DIMETHYLMORPHOLINE BASF AKTIENGESELLSCHAFT (DE) 1979-10-23 US disclosed