Dichloroacetic Acid

Dichloroacetic Acid

SCHEMBL5874642

CN(C)C.O=C(O)C(Cl)Cl

nearest known ligand 0.71

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Known targets — ChEMBL curated mechanism

PDK1PDK2PDK3PDK4

The experimentally established mechanism targets of Dichloroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
SLC7A5 Q01650 1/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ABCB11 O95342 1/20 0.32
F2 P00734 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32

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
Dichloroacetic Acid SCHEMBL6913057 0.89
Dichloroacetic Acid SCHEMBL8427194 0.85
Dichloroacetic Acid SCHEMBL5307050 0.84 LMNA (1.00) LMNAALDH1A1TSHRTP53THRB
Dichloroacetic Acid SCHEMBL7777 0.84
Dichloroacetic Acid SCHEMBL1331776 0.84
Dichloroacetic Acid SCHEMBL5874312 0.81
Dichloroacetic Acid SCHEMBL15515945 0.81 LMNA (0.77) LMNAALDH1A1TSHRTP53THRB
Dichloroacetic Acid SCHEMBL23923240 0.81
Dichloroacetic Acid SCHEMBL8610684 0.81
Dichloroacetic Acid SCHEMBL20876907 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116804825-A Composition for forming silicon-containing metal hard mask and pattern forming method 信越化学工业株式会社 2023-09-26 CN disclosed
CN-111458980-B Composition for forming underlayer film of silicon-containing resist and method for forming pattern 信越化学工业株式会社 2023-08-11 CN disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed