2,3-Dibromopropanol

2,3-Dibromopropanol

SCHEMBL2887552

CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.OCC(Br)CBr

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
ALDH1A1 P00352 3/20 0.63
ALOX15 P16050 3/20 0.63
HIF1A Q16665 3/20 0.63
HSD17B10 Q99714 3/20 0.63
ALOX12 P18054 2/20 0.63
CYP3A4 P08684 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
HPGD P15428 1/20 0.63
CASP1 P29466 1/20 0.63
RECQL P46063 1/20 0.63
CHEK1 O14757 1/20 0.50
DAPK3 O43293 1/20 0.50
RET P07949 1/20 0.50
PDGFRB P09619 1/20 0.50
PIM1 P11309 1/20 0.50
PDGFRA P16234 1/20 0.50
KDR P35968 1/20 0.50
MAPK8 P45983 1/20 0.50
RPS6KA3 P51812 1/20 0.50

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
1,2-Dibromoethane SCHEMBL4910588 0.80 TSHR (0.83) TSHRALDH1A1ALOX15HIF1AHSD17B10
SCHEMBL18647 0.80 TSHR (1.00) TSHRALDH1A1ALOX15HIF1AHSD17B10
SCHEMBL5173922 0.80 TSHR (1.00) TSHRALDH1A1ALOX15HIF1AHSD17B10
SCHEMBL11567514 0.74 ALOX15 (0.86) TSHRALDH1A1ALOX15HIF1AHSD17B10
SCHEMBL4801438 0.74 ALDH1A1 (0.58) TSHRALDH1A1ALOX15HIF1AHSD17B10
SCHEMBL10013229 0.72 TSHR (0.83) TSHRALDH1A1ALOX15HIF1AHSD17B10
SCHEMBL16383381 0.72 TSHR (0.83) TSHRALDH1A1ALOX15HIF1AHSD17B10
SCHEMBL20762298 0.72 ALOX15 (0.83) TSHRALDH1A1ALOX15HIF1AHSD17B10
Bicarbonate SCHEMBL11306999 0.72 ALOX15 (0.83) TSHRALDH1A1ALOX15HIF1AHSD17B10
SCHEMBL5953176 0.72 TSHR (0.83) TSHRALDH1A1ALOX15HIF1AHSD17B10

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-20100285313-A1 MICROENCAPSULATED FIRE RETARDANTS AND THE USES THEREOF ETERNAL CHEMICAL CO., LTD. (TW) 2010-11-11 US claimed