Bromoacetic Acid

Bromoacetic Acid

SCHEMBL5150463

O=C(CN1CCCCC1)ON1C(=O)CCC1=O.O=C(O)CBr

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 7/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GLA P06280 2/20 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
SCHEMBL1241402 0.91 GAA (0.41) KMT2AALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL17053358 0.85 HSD17B10 (0.36) KMT2AALDH1A1SMN1; SMN2MEN1CHRM2
SCHEMBL17057486 0.85 HSD17B10 (0.36) KMT2AALDH1A1SMN1; SMN2MEN1CHRM2
SCHEMBL15518427 0.83 HSD17B10 (0.39) KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL560792 0.83 HSD17B10 (0.39) KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL437100 0.77 LMNA (0.36) KMT2AALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL12238070 0.77 LMNA (0.36) KMT2AALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL12038457 0.75 CHRM5 (0.35) CHRM5CHRM3
SCHEMBL14522328 0.75 CHRM5 (0.35) CHRM5CHRM3
SCHEMBL20750016 0.75 KMT2A (0.41) KMT2AALDH1A1GAAMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1588145-A4 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORP (US) 2007-05-16 — — EP disclosed
EP-1701945-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF Applera Corporation (US) 2006-09-20 — — EP disclosed
EP-1588145-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION Applera Corporation (US) 2005-10-26 — — EP disclosed
WO-2005068446-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF APPLERA CORPORATION (US) 2005-07-28 — — WO disclosed
WO-2004070352-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2004-08-19 — — WO disclosed
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