Bromide

Bromide

SCHEMBL28087168

Br.Br.CC[n+]1ccn(C)c1

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
Bromide SCHEMBL26692352 1.00
Bromide SCHEMBL28437154 1.00
Bromide SCHEMBL28918677 0.98
SCHEMBL34728 0.97
Fluoride SCHEMBL28432966 0.97
Bromide SCHEMBL27959643 0.95 MEN1 (0.31)
Water SCHEMBL17764761 0.95
SCHEMBL2021731 0.95
Water SCHEMBL409262 0.95
Iodide SCHEMBL379672 0.95

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
CN-105921172-A Application of ionic liquid in synthesis of propylene glycol ether and propylene glycol ether synthesis method 中国科学院过程工程研究所 2016-09-07 CN disclosed