Bromide

Bromide

SCHEMBL4592298

C=C(C)C(=O)OCCCCCC[N+](CC)(CC)CC.[Br-]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
THRB P10828 1/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DNM1 Q05193 4/20 0.42
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA10 Q9GZZ6 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
Hydrochloric Acid SCHEMBL27656623 0.98 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6863232 0.98 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL27656702 0.98 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL2798756 0.97 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Bromide SCHEMBL352220 0.93 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
Bromide SCHEMBL9494989 0.92 TSHR (0.73) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3269103 0.91 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL475736 0.91 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23375504 0.88 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
Bromide SCHEMBL4541172 0.86 THRB (0.53) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902073-A1 PROCESS FOR MANUFACTURING ORGANOCLAV-POLYMER NANOCOMPOSITES BY GAS PHASE POLYMERIZATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-03-26 EP disclosed
WO-2006097305-A1 PROCESS FOR MANUFACTURING ORGANOCLAV-POLYMER NANOCOMPOSITES BY GAS PHASE POLYMERIZATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-09-21 WO disclosed