Bromide

Bromide

SCHEMBL5997183

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

nearest known ligand 0.53

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 0.53
CHRM5 known ✓ P08912 3/20 0.46
CHRM1 known ✓ P11229 3/20 0.46
CHRM3 known ✓ P20309 3/20 0.46
CHRM2 known ✓ P08172 2/20 0.44
CHRM4 known ✓ P08173 2/20 0.44
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
ADRA2A P08913 1/20 0.47
ADRA1A P35348 1/20 0.47
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GALR3 O60755 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.45
DGKA P23743 1/20 0.44
ENPP2 Q13822 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL5200645 0.98 ACHE (0.54) ACHEMAPTBLMADRA2AADRA1A
SCHEMBL3423192 0.84 DGKA (0.55) TSHRDGKA
Bromide SCHEMBL1161318 0.84 ACHE (0.49) ACHEMAPTBLMADRA2AADRA1A
SCHEMBL3502248 0.83 TSHR (0.58) RAD52NPSR1TSHRDGKA
SCHEMBL11142420 0.83 TSHR (0.53) TSHRDGKA
SCHEMBL16264235 0.81 TSHR (0.67) RAD52NPSR1TSHRDGKA
SCHEMBL5309960 0.81 TSHR (0.67) RAD52NPSR1TSHRDGKA
SCHEMBL7522565 0.81 TSHR (0.67) RAD52NPSR1TSHRDGKA
SCHEMBL20604283 0.81 TSHR (0.67) RAD52NPSR1TSHRDGKA
SCHEMBL4537822 0.81 TSHR (0.67) RAD52NPSR1TSHRDGKA

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
US-7030176-B2 Recording medium with nanoparticles and methods of making the same KIMBERLY-CLARK WORLDWIDE, INC. (US) 2006-04-18 US disclosed
US-20030021983-A1 Recording medium with nanoparticles and methods of making the same KIMBERLY-CLARK WORLDWIDE, INC. 2003-01-30 US disclosed