Bromide

Bromide

SCHEMBL204549

CCCC[n+]1cc[nH]c1C.[Br-]

nearest known ligand 0.36

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
CHRM2 known ✓ P08172 1/20 0.31
CHRM4 known ✓ P08173 1/20 0.31
CHRM5 known ✓ P08912 1/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
ACHE known ✓ P22303 1/20 0.31
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
HTT P42858 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 4/20 0.32
KMT2A Q03164 3/20 0.32
HSP90AA1 P07900 3/20 0.32
RAD52 P43351 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL329178 0.98 HTT (0.35) CA1CA2HTTSMN1; SMN2NPC1
Water SCHEMBL15571107 0.96 HTT (0.34) CA1CA2HTTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL202419 0.96 HTT (0.34) CA1CA2HTTSMN1; SMN2NPC1
Iodide SCHEMBL1226177 0.96 HTT (0.35) CA1CA2HTTSMN1; SMN2NPC1
Bromide SCHEMBL31207589 0.94 CA1 (0.41) CA1CA2HTTSMN1; SMN2NPC1
Bromide SCHEMBL8873590 0.92 HTT (0.44) CA1CA2HTTSMN1; SMN2NPC1
Bromide SCHEMBL193259 0.92 HTT (0.44) CA1CA2HTTSMN1; SMN2NPC1
Bromide SCHEMBL15798390 0.92 HTT (0.44) CA1CA2HTTSMN1; SMN2NPC1
Bromide SCHEMBL9194597 0.92 HTT (0.44) CA1CA2HTTSMN1; SMN2NPC1
Bromide SCHEMBL17027655 0.92 HTT (0.44) CA1CA2HTTSMN1; SMN2NPC1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111584891-B Atomic-level iron active site catalyst and preparation method and application thereof 南通大学 2022-02-01 CN disclosed
CN-111584891-A Atomic-level iron active site catalyst and preparation method and application thereof 南通大学 2020-08-25 CN disclosed
EP-2181979-B1 Conversion of a multihydroxylated aliphatic hydrocarbon or ester thereof to a chlorohydrin DOW GLOBAL TECHNOLOGIES LLC (US) 2015-04-22 EP disclosed
EP-2174925-B1 Conversion of a multihydroxylated-aliphatic hydrocarbon or ester thereof to a chlorohydrin DOW GLOBAL TECHNOLOGIES LLC (US) 2014-10-15 EP disclosed
US-8404905-B2 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloroacetone levels DOW GLOBAL TECHNOLOGIES LLC (US) 2013-03-26 US disclosed
US-8304563-B2 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloroacetone levels DOW GLOBAL TECHNOLOGIES LLC (US) 2012-11-06 US disclosed
US-8236975-B2 Process for the conversion of a crude glycerol, crude mixtures of naturally derived multicomponent aliphatic hydrocarbons or esters thereof to a chlorohydrin DOW GLOBAL TECHNOLOGIES LLC 2012-08-07 US disclosed
WO-2012006313-A2 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-01-12 WO disclosed
US-8088957-B2 Conversion of a multihydroxylated-aliphatic hydrocarbon or ester thereof to a chlorohydrin DOW GLOBAL TECHNOLOGIES LLC 2012-01-03 US disclosed
US-20110178315-A1 PROCESS FOR THE CONVERSION OF A CRUDE GLYCEROL, CRUDE MIXTURES OF NATURALLY DERIVED MULTICOMPONENT ALIPHATIC HYDROCARBONS OR ESTERS THEREOF TO A CHLOROHYDRIN DOW GLOBAL TECHNOLOGIES LLC (US) 2011-07-21 US disclosed
US-7910781-B2 Process for the conversion of a crude glycerol, crude mixtures of naturally derived multihydroxylated aliphatic hydrocarbons or esters thereof to a chlorohydrin DOW GLOBAL TECHNOLOGIES LLC 2011-03-22 US disclosed
US-7906690-B2 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloracetone levels DOW GLOBAL TECHNOLOGIES INC. 2011-03-15 US disclosed
EP-2181979-A1 Conversion of a multihydroxylated aliphatic hydrocarbon or ester thereof to a chlorohydrin Dow Global Technologies Inc. (US) 2010-05-05 EP disclosed
EP-2174925-A1 Conversion of a multihydroxylated-aliphatic hydrocarbon or ester thereof to a chlorohydrin Dow Global Technologies Inc. (US) 2010-04-14 EP disclosed
EP-1771403-B1 CONVERSION OF A MULTIHYDROXYLATED-ALIPHATIC HYDROCARBON OR ESTER THEREOF TO A CHLOROHYDRIN DOW GLOBAL TECHNOLOGIES INC (US) 2010-01-06 EP disclosed
US-20080045728-A1 Conversion of a Multihydroxylated-Aliphatic Hydrocarbon or Ester Thereof to a Chlorohydrin BLUE CUBE IP LLC 2008-02-21 US disclosed
US-20080015370-A1 Process for the conversion of a crude glycerol, crude mixtures of naturally derived multicomponent aliphatic hydrocarbons or esters thereof to a chlorohydrin BLUE CUBE IP LLC 2008-01-17 US disclosed
US-20080015369-A1 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloracetone levels BLUE CUBE IP LLC 2008-01-17 US disclosed
EP-1771403-A1 CONVERSION OF A MULTIHYDROXYLATED-ALIPHATIC HYDROCARBON OR ESTER THEREOF TO A CHLOROHYDRIN Dow Gloval Technologies Inc. (US) 2007-04-11 EP disclosed
WO-2006020234-A1 CONVERSION OF A MULTIHYDROXYLATED-ALIPHATIC HYDROCARBON OR ESTER THEREOF TO A CHLOROHYDRIN DOW GLOBAL TECHNOLOGIES INC. (US) 2006-02-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080015370-A1 Process for the conversion of a crude glycerol, crude mixtures of naturally derived multicomponent aliphatic hydrocarbons or esters thereof to a chlorohydrin GK, CETP, CYP46A1 CHRM2 2976/4885CHRM4 3103/4885CHRM5 3633/4885
US-20080045728-A1 Conversion of a Multihydroxylated-Aliphatic Hydrocarbon or Ester Thereof to a Chlorohydrin CHN2, HDHD5, ASPH CHRM2 3713/4885CHRM4 3607/4885CHRM5 4240/4885
US-20110178315-A1 PROCESS FOR THE CONVERSION OF A CRUDE GLYCEROL, CRUDE MIXTURES OF NATURALLY DERIVED MULTICOMPONENT ALIPHATIC HYDROCARBONS OR ESTERS THEREOF TO A CHLOROHYDRIN GK, CETP, CYP46A1 CHRM2 2976/4885CHRM4 3103/4885CHRM5 3633/4885
US-20080015369-A1 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloracetone levels GK, GLI2, CHLSN CHRM2 992/4885CHRM4 1321/4885CHRM5 2583/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.