Chloroacetic Acid

Chloroacetic Acid

SCHEMBL17303418

CC(O)C[N+](C)(C)C.O=C(O)CCl

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TSHR P16473 5/20 0.46
SLC22A16 Q86VW1 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
TBXA2R P21731 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2C9 P11712 1/20 0.38
GALR3 O60755 1/20 0.38
BLM P54132 1/20 0.38
BBOX1 O75936 3/20 0.37
APEX1 P27695 1/20 0.37
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33

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
Bicarbonate SCHEMBL28323258 0.85 MAPT (0.52) MAPTTSHRSLC22A16CHRM2CHRM4
Chloroacetic Acid SCHEMBL17303419 0.84 SLC22A16 (0.54) MAPTTSHRSLC22A16CHRM2CHRM4
Acetic Acid SCHEMBL28210362 0.83 MAPT (0.50) MAPTTSHRSLC22A16CHRM2CHRM4
Bicarbonate SCHEMBL8320369 0.81 SLC22A16 (0.54) MAPTTSHRSLC22A16CHRM2CHRM4
SCHEMBL193840 0.80
SCHEMBL9748138 0.80
SCHEMBL9748670 0.80
Hydrochloric Acid SCHEMBL9748656 0.79 TSHR (0.38) MAPTTSHRSLC22A16CHRM2CHRM4
Hydrochloric Acid SCHEMBL9749323 0.79 TSHR (0.38) MAPTTSHRSLC22A16CHRM2CHRM4
Bicarbonate SCHEMBL28323257 0.78 SLC22A16 (0.56) MAPTTSHRSLC22A16CHRM2CHRM4

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
US-9206291-B2 Hybrid compounds containing polysaccharide(s) and at least one polyoxyalkylene, method for preparing same, and applications thereof RHODIA OPERATIONS (FR) 2015-12-08 US disclosed