Bromide

Bromide

SCHEMBL637808

CC[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.[Br-]

nearest known ligand 0.52

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 19)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CHRNA7 P36544 6/20 0.51
CHRNB4 P30926 5/20 0.51
CHRNA3 P32297 5/20 0.51
CYP1A2 P05177 1/20 0.49
TP53 P04637 2/20 0.48
DNM1 Q05193 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
BCHE P06276 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
HTT P42858 2/20 0.41

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
SCHEMBL5292220 0.97 KDM4E (0.54) KDM4EALDH1A1TDP1CHRNA7CHRNB4
Bromide SCHEMBL117943 0.95 KDM4E (0.52) KDM4EALDH1A1TDP1CHRNA7CHRNB4
Bromide SCHEMBL5088423 0.95 KDM4E (0.52) KDM4EALDH1A1TDP1CHRNA7CHRNB4
Water SCHEMBL11057284 0.95 KDM4E (0.52) KDM4EALDH1A1TDP1CHRNA7CHRNB4
Iodide SCHEMBL5087561 0.95 KDM4E (0.52) KDM4EALDH1A1TDP1CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL636765 0.95 KDM4E (0.58) KDM4EALDH1A1TDP1CHRNA7CHRNB4
Bromide SCHEMBL653934 0.95 KDM4E (0.52) KDM4EALDH1A1TDP1CHRNA7CHRNB4
Bromide SCHEMBL3646711 0.93 CHRNA7 (0.50) KDM4EALDH1A1TDP1CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL3641370 0.93 CHRNA7 (0.50) KDM4EALDH1A1TDP1CHRNA7CHRNB4
Bromide SCHEMBL653935 0.93 CHRNA7 (0.50) KDM4EALDH1A1TDP1CHRNA7CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642718-B2 Curable composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-02-04 US disclosed
EP-1882713-B1 CURABLE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2013-07-03 EP disclosed
US-8394920-B2 Composition for resin and optical lens obtained therefrom MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-03-12 US disclosed
EP-1775315-B1 POLYMERIZABLE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2012-02-22 EP disclosed
US-8013084-B2 Manufacturing method and apparatus of optical material SEIKO EPSON CORPORATION (JP) 2011-09-06 US disclosed
EP-1398317-B1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2011-01-12 EP disclosed
US-20100331515-A1 COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-12-30 US disclosed
EP-2243798-A1 COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM Mitsubishi Gas Chemical Company, Inc. (JP) 2010-10-27 EP disclosed
EP-1319966-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-05-26 EP disclosed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-20040158031-A1 Alicyclic compound for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-08-12 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
US-20040122201-A1 polysulfides; improved impact resistance MITSUBISHI GAS CHEMICAL COMPANY (JP) 2004-06-24 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
EP-1398317-A1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-03-17 EP disclosed
US-20040026658-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2004-02-12 US disclosed
US-20040024165-A1 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-02-05 US disclosed
EP-1326095-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-07-09 EP disclosed
EP-1319966-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-18 EP disclosed
EP-1316819-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-04 EP disclosed