Bromoethane

Bromoethane

SCHEMBL27723948

Br.Br.CCBr

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromoethane. 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
Bromoethane SCHEMBL5032176 1.00
Bromoethane SCHEMBL989958 0.93
Bromoethane SCHEMBL1330309 0.93
Bromoethane SCHEMBL1331842 0.93
Bromoethane SCHEMBL2322 0.93
Bromoethane SCHEMBL11040936 0.88
Bromoethane SCHEMBL23628450 0.86
Bromoethane SCHEMBL8586792 0.86
Bromoethane SCHEMBL11585879 0.86
Bromoethane SCHEMBL349037 0.86

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-101321724-A Process for the preparation of (omega-aminoalkylamino) alkyl halides and their conversion to amifostine ALBEMARLE CORP (US) 2008-12-10 CN disclosed