Acetoacetic Acid

Acetoacetic Acid

SCHEMBL18154854

CC(=O)CC(=O)O.CC(=O)CC(=O)O.CC(CCO)CCO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38

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
Malonic Acid SCHEMBL30288558 0.88 LDHA (0.47) ALDH1A1ALOX15GABRPGABRDGABRA1
Acetoacetic Acid SCHEMBL8843224 0.84 ALDH1A1 (0.38) ALDH1A1GABRPGABRDGABRA1GABRB1
Acetoacetic Acid SCHEMBL6572214 0.84 ALDH1A1 (0.38) ALDH1A1GABRPGABRDGABRA1GABRB1
Acetic Acid SCHEMBL7950964 0.83 ALDH1A1 (0.52) ALDH1A1ALOX15GABRPGABRDGABRA1
Acetoacetic Acid SCHEMBL28466057 0.83 ALDH1A1 (0.36) ALDH1A1GABRPGABRDGABRA1GABRB1
Acetoacetic Acid SCHEMBL2705262 0.81 KDM4E (0.41) ALDH1A1GABRPGABRDGABRA1GABRB1
Acetoacetic Acid SCHEMBL2701583 0.80 KDM4E (0.48) ALDH1A1KDM4EKDM6BKDM5CEGLN1
Acetoacetic Acid SCHEMBL711498 0.80 KDM4E (0.48) ALDH1A1KDM4EKDM6BKDM5CEGLN1
Acetoacetic Acid SCHEMBL9278066 0.80 KDM4E (0.48) ALDH1A1GABRPGABRDGABRA1GABRB1
Bicarbonate SCHEMBL18224038 0.80 ALDH1A1 (0.48) ALDH1A1ALOX15GABRPGABRDGABRA1

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
EP-3380538-A1 AMINE FOR CURABLE POLYMER COMPOSITIONS WITH HIGH PROCESS RELIABILITY Sika Technology AG (CH) 2018-10-03 EP disclosed
EP-3294803-A1 CATALYST CONTAINING GUANIDINE GROUPS Sika Technology AG (CH) 2018-03-21 EP disclosed
EP-3283550-A1 AMIDINE-GROUP CONTAINING CATALYST Sika Technology AG (CH) 2018-02-21 EP disclosed
WO-2017089472-A1 AMINE FOR CURABLE POLYMER COMPOSITIONS WITH HIGH PROCESS RELIABILITY SIKA TECHNOLOGY AG (CH) 2017-06-01 WO disclosed
WO-2016180840-A1 CATALYST CONTAINING GUANIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2016-11-17 WO disclosed
WO-2016166336-A1 AMIDINE-GROUP CONTAINING CATALYST SIKA TECHNOLOGY AG (CH) 2016-10-20 WO disclosed