Bromide

Bromide

SCHEMBL6904659

Br.Br.C1=CC([Zr]2(C3C=CC4=C3CCCC4)CC2)C2=C1CCCC2

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL812615 0.98
SCHEMBL10607100 0.98
SCHEMBL8420767 0.98
Hydrochloric Acid SCHEMBL60123 0.96
Hydrochloric Acid SCHEMBL10456231 0.96
Fluoride SCHEMBL7595461 0.96
Hydrochloric Acid SCHEMBL2877935 0.96
Hydrochloric Acid SCHEMBL10456417 0.96
Hydrochloric Acid SCHEMBL5599450 0.89
Alcohol SCHEMBL7540710 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004106391-A1 POLYMER-BASED MATERIAL MERCK PATENT GMBH (DE) 2004-12-09 WO disclosed
EP-1450947-A1 MICROPARTICULATE MATERIAL MERCK PATENT GmbH (DE) 2004-09-01 EP disclosed
WO-2003047753-A1 MICROPARTICULATE MATERIAL MERCK PATENT GMBH (DE) 2003-06-12 WO disclosed
EP-0920989-A2 Polyolefin multi-layer laminates and uses thereof Mitsui Chemicals, Inc. (JP) 1999-06-09 EP disclosed