Malonic Acid

Malonic Acid

SCHEMBL28655263

Cc1cccc(C=O)c1C.O=C(O)CC(=O)O

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
SRC P12931 1/20 0.40
TDP1 Q9NUW8 5/20 0.39
CYP3A4 P08684 2/20 0.39
PTGS2 P35354 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
TRPA1 O75762 2/20 0.39
AKR1B10 O60218 1/20 0.39
ABCB11 O95342 1/20 0.39
DHFR P00374 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
Acetone SCHEMBL28319336 0.85 ALDH1A1 (0.56) ALDH1A1TSHRTRIM24TRIM33TDP1
SCHEMBL29459966 0.84 TSHR (0.65) ALDH1A1TSHRTRIM24TRIM33TDP1
SCHEMBL29444 0.84 TSHR (0.65) ALDH1A1TSHRTRIM24TRIM33TDP1
Alcohol SCHEMBL27697026 0.83 ALDH1A1 (0.54) ALDH1A1TSHRPTGDR2TRIM24TRIM33
Hydrochloric Acid SCHEMBL27757600 0.82 TSHR (0.62) ALDH1A1TSHRTRIM24TRIM33TDP1
Hydrochloric Acid SCHEMBL28541799 0.82 TSHR (0.62) ALDH1A1TSHRTRIM24TRIM33TDP1
Fluoride SCHEMBL14237074 0.82 TSHR (0.62) ALDH1A1TSHRTRIM24TRIM33TDP1
SCHEMBL5323109 0.81 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CYP3A4PTGS2
Formaldehyde SCHEMBL25380225 0.81 TSHR (0.60) ALDH1A1TSHRTRIM24TRIM33TDP1
Hydrazine SCHEMBL27804131 0.81 TSHR (0.60) ALDH1A1TSHRTRIM24TRIM33TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108883316-B Skin-lightening, sunscreen, vitamin D-generating compositions 欧内斯特·阿姆斯特朗 2021-11-19 CN disclosed