Bromide

Bromide

SCHEMBL5250787

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

nearest known ligand 0.59

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
CHRM5 known ✓ P08912 3/20 0.34
CHRM1 known ✓ P11229 3/20 0.34
CHRM3 known ✓ P20309 3/20 0.34
CHRM2 known ✓ P08172 2/20 0.32
CHRM4 known ✓ P08173 2/20 0.32
ACHE known ✓ P22303 1/20 0.30
THRB P10828 1/20 0.59
TSHR P16473 6/20 0.45
ALDH1A1 P00352 5/20 0.35
GALR3 O60755 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BBOX1 O75936 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
PGR P06401 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
SCHEMBL13791392 0.98 THRB (0.61) THRBTSHRALDH1A1CHRM5CHRM1
Bromide SCHEMBL4367449 0.90 THRB (0.52) THRBTSHRALDH1A1CHRM5CHRM1
Hydrochloric Acid SCHEMBL475871 0.88 THRB (0.53) THRBTSHRALDH1A1CHRM5CHRM1
SCHEMBL1598354 0.88 THRB (0.53) THRBTSHRALDH1A1CHRM5CHRM1
SCHEMBL13791399 0.87 THRB (0.51) THRBTSHRALDH1A1CHRM5CHRM1
SCHEMBL28041831 0.83 THRB (0.61) THRBTSHRALDH1A1CHRM5CHRM1
SCHEMBL23628727 0.83 THRB (0.53) THRBTSHRALDH1A1CHRM5CHRM1
Hydrogen Sulfide SCHEMBL10603713 0.82 THRB (0.76) THRBTSHRALDH1A1CHRM5CHRM1
Sulfuric Acid SCHEMBL11784028 0.82 THRB (0.47) THRBTSHRALDH1A1CHRM5CHRM1
SCHEMBL3760085 0.81 TSHR (0.58) THRBTSHRALDH1A1CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964878-B1 HYDROLYTICALLY STABLE RESINS FOR USE IN ANION-EXCHANGE CHROMATOGRAPHY DIONEX CORP (US) 2007-09-12 EP disclosed
EP-0964878-A4 HYDROLYTICALLY STABLE RESINS FOR USE IN ANION-EXCHANGE CHROMATOGRAPHY DIONEX CORP (US) 2004-12-22 EP disclosed
EP-0964878-A1 HYDROLYTICALLY STABLE RESINS FOR USE IN ANION-EXCHANGE CHROMATOGRAPHY DIONEX CORPORATION (US) 1999-12-22 EP disclosed
US-5936003-A RESIN SUPPORT PARTICLES AND ANION EXCHANGE COMPOUNDS ATTACHED WHEREIN THE ANION-EXCHANGE COMPOUNDS COMPRISE AN INTERNAL REACTIVE GROUP, WHICH MAY BE AN ESTER, KETONE OR AMIDE GROUP, AND A TERMINAL QUATERNARY AMMONIUM SALT WHICH FUNCTIONS AS AN DIONEX CORPORATION (US) 1999-08-10 US disclosed
US-5925253-A SYNTHETIC RESIN STATIONARY PHASE LINKED TO QUATERNIZED ANION-EXCHANGE SITES THROUGH REACTIVE GROUP AND ELONGATED LINKING ATOM CHAIN DIONEX CORPORATION (US) 1999-07-20 US disclosed
WO-1998039367-A1 HYDROLYTICALLY STABLE RESINS FOR USE IN ANION-EXCHANGE CHROMATOGRAPHY DIONEX CORPORATION (US) 1998-09-11 WO disclosed