Bromide

Bromide

SCHEMBL1782654

C=C(C)C(=O)OCC[N+](C)(C)C.C=C(C)C(=O)OCC[N+](C)(C)C.C=C(CCCC)C(=O)[O-].[Br-]

nearest known ligand 0.49

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
ACHE known ✓ P22303 3/20 0.43
CHRM5 known ✓ P08912 4/20 0.42
CHRM1 known ✓ P11229 4/20 0.42
CHRM3 known ✓ P20309 4/20 0.42
CHRM2 known ✓ P08172 3/20 0.40
CHRM4 known ✓ P08173 3/20 0.40
TSHR P16473 3/20 0.49
GALR3 O60755 2/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HTR1A P08908 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
PGR P06401 1/20 0.40

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 SCHEMBL17078174 0.86 CHRM5 (0.42) TSHRACHECHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7058592 0.86 TSHR (0.51) TSHRACHECHRM5CHRM1CHRM3
SCHEMBL5899198 0.83 TSHR (0.49) TSHRACHETHRBRAD52NPSR1
Hydrochloric Acid SCHEMBL6114873 0.82 TSHR (0.66) TSHRACHECHRM5CHRM1CHRM3
Methacrylic Acid SCHEMBL2511701 0.82 CHRM5 (0.57) TSHRACHECHRM5CHRM1CHRM3
Methacrylic Acid SCHEMBL21931217 0.82 CHRM5 (0.57) TSHRACHECHRM5CHRM1CHRM3
Methacrylic Acid SCHEMBL16444097 0.81 CHRM5 (0.55) TSHRACHECHRM5CHRM1CHRM3
Acetic Acid SCHEMBL9619910 0.81 CHRM5 (0.59) TSHRACHECHRM5CHRM1CHRM3
Bromide SCHEMBL366432 0.81 CHRM1 (0.63) TSHRACHECHRM5CHRM1CHRM3
Bromide SCHEMBL5997183 0.80 ACHE (0.53) TSHRACHECHRM5CHRM1CHRM3

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-20110117359-A1 COATING COMPOSITION, COATED ARTICLE, AND RELATED METHODS AVERY DENNISON CORPORATION 2011-05-19 US disclosed