Chloroacetic Acid

Chloroacetic Acid

SCHEMBL28115362

C[Si](C)(C)[Na].O=C(O)CCl

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
FFAR3 O14843 2/20 0.37
BBOX1 O75936 3/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
GAA P10253 1/20 0.31

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
Chloroacetic Acid SCHEMBL27924160 0.83
Chloroacetic Acid SCHEMBL9856939 0.79
Chloroacetic Acid SCHEMBL19089 0.79
Chloroacetic Acid SCHEMBL1330914 0.79
Chloroacetic Acid SCHEMBL5309413 0.79 TSHR (1.00) TSHRFFAR3HMGCRCHRM1TBXA2R
Chloroacetic Acid SCHEMBL1330649 0.79
Chloroacetic Acid SCHEMBL1331987 0.79
Propionic Acid SCHEMBL6565125 0.78 FFAR3 (0.67) TSHRFFAR3ALDH1A1LMNAHSD17B10
Chloroacetic Acid SCHEMBL6569438 0.76
Chloroacetic Acid SCHEMBL5875167 0.76

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-106348275-A Preparation method of silicon-chlorine-doped carbon quantum dots 常州大学 2017-01-25 CN disclosed