Bromide

Bromide

SCHEMBL9716398

Br.Br.CCC[N+](C)(C)CC.[Br-]

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 11/20 0.57
HSP90AA1 P07900 1/20 0.57
RAD52 P43351 1/20 0.57
HTT P42858 2/20 0.52
KMT2A Q03164 1/20 0.52
SLC22A1 O15245 1/20 0.39
BBOX1 O75936 3/20 0.37

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
Bromide SCHEMBL10389896 1.00 DNM1 (0.57) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL10389894 0.97 DNM1 (0.60) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL9978605 0.97
Bromide SCHEMBL9716395 0.97 DNM1 (0.60) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL9716401 0.97 DNM1 (0.55) DNM1HSP90AA1RAD52HTTKMT2A
Bromide SCHEMBL10389897 0.97 DNM1 (0.55) DNM1HSP90AA1RAD52HTTKMT2A
SCHEMBL372742 0.93
Water SCHEMBL3058935 0.90
Iodide SCHEMBL31682998 0.90
Hydrochloric Acid SCHEMBL3783117 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283509-A4 THE CONTROL OF BIOFOULING IN AQUEOUS SYSTEMS BY NON-POLYMERIC QUATERNARY AMMONIUM POLYHALIDES. GREAT LAKES CHEMICAL CORP (US) 1989-04-12 EP claimed
EP-0283509-A1 THE CONTROL OF BIOFOULING IN AQUEOUS SYSTEMS BY NON-POLYMERIC QUATERNARY AMMONIUM POLYHALIDES. GREAT LAKES CHEMICAL CORP (US) 1988-09-28 EP claimed
WO-1988002351-A1 THE CONTROL OF BIOFOULING IN AQUEOUS SYSTEMS BY NON-POLYMERIC QUATERNARY AMMONIUM POLYHALIDES GREAT LAKES CHEMICAL CORPORATION (US) 1988-04-07 WO claimed
EP-0283509-B1 THE CONTROL OF BIOFOULING IN AQUEOUS SYSTEMS BY NON-POLYMERIC QUATERNARY AMMONIUM POLYHALIDES GREAT LAKES CHEMICAL CORPORATION (US) 1992-07-15 EP disclosed
US-4978685-A MIXED WITH SURFACTANTS; PROVIDING OXIDIZING HALOGEN AND NON-OXIDIZING QUATERNARY MONOHALIDE FORM GREAT LAKES CHEMICAL CORPORATION (US) 1990-12-18 US disclosed
US-4976874-A REDUCIBLE POLYHALIDE ANTIFOULING AGENTS WHICH RELEASE OXIDIZING HALOGENS GREAT LAKES CHEMICAL CORPORATION (US) 1990-12-11 US disclosed
EP-0283509-A4 THE CONTROL OF BIOFOULING IN AQUEOUS SYSTEMS BY NON-POLYMERIC QUATERNARY AMMONIUM POLYHALIDES. GREAT LAKES CHEMICAL CORP (US) 1989-04-12 EP disclosed
EP-0283509-A1 THE CONTROL OF BIOFOULING IN AQUEOUS SYSTEMS BY NON-POLYMERIC QUATERNARY AMMONIUM POLYHALIDES. GREAT LAKES CHEMICAL CORP (US) 1988-09-28 EP disclosed
WO-1988002351-A1 THE CONTROL OF BIOFOULING IN AQUEOUS SYSTEMS BY NON-POLYMERIC QUATERNARY AMMONIUM POLYHALIDES GREAT LAKES CHEMICAL CORPORATION (US) 1988-04-07 WO disclosed