Bromoacetic Acid

Bromoacetic Acid

SCHEMBL11405488

O=C([O-])CBr.O=C([O-])CBr.[Co+2]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA4 P22748 4/20 0.47
TSHR P16473 1/20 0.47
TRPA1 O75762 2/20 0.44
CASP1 P29466 1/20 0.41
FFAR3 O14843 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.33
FAHD1 Q6P587 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 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
Bromoacetic Acid SCHEMBL6914854 0.92 CA4 (0.47) CA4TSHRTRPA1CASP1FFAR3
Bromoacetic Acid SCHEMBL6916707 0.92 CA4 (0.47) CA4TSHRTRPA1CASP1FFAR3
Bromoacetic Acid SCHEMBL2852922 0.92
Bromoacetic Acid SCHEMBL2476064 0.92
Bromoacetic Acid SCHEMBL6914538 0.92
Bromoacetic Acid SCHEMBL1000560 0.92
Bromoacetic Acid SCHEMBL789120 0.92
Bromoacetic Acid SCHEMBL6916750 0.92 CA4 (0.47) CA4TSHRTRPA1CASP1FFAR3
Bromoacetic Acid SCHEMBL6917043 0.92
Bromoacetic Acid SCHEMBL4372765 0.92 CA4 (0.47) CA4TSHRTRPA1CASP1FFAR3

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
US-4230882-A OXIDATION OF P-XYLENE WITH COBALT-MANGANESE-BROMINE CATALYST SYSTEM ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1980-10-28 US claimed
JP-55066539-A None JP disclosed
US-4230882-A OXIDATION OF P-XYLENE WITH COBALT-MANGANESE-BROMINE CATALYST SYSTEM ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1980-10-28 US disclosed
JP-S5566539-A PREPARATION OF M-PHENOXYBENZOIC ACID NIPPON SODA CO LTD 1980-05-20 JP disclosed