Bromide

Bromide

SCHEMBL5073248

Br.C/C=C/C(=O)OCC

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 SCHEMBL5073250 1.00
SCHEMBL182296 0.97
SCHEMBL264867 0.97
SCHEMBL24483 0.97
Water SCHEMBL27877032 0.95
Fluoride SCHEMBL28181807 0.95
SCHEMBL29961400 0.95
Methylamine SCHEMBL11681719 0.93 HCAR2 (0.58)
Alcohol SCHEMBL16053498 0.93 HCAR2 (0.58)
Methylamine SCHEMBL28259823 0.93 HCAR2 (0.58)

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-20080221377-A1 Methods for synthesis of carotenoids, including analogs, derivatives, and synthetic and biological intermediates CARDAX PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids CARDAX PHARMACEUTICALS, INC. 2006-07-27 US disclosed