Bromide

Bromide

SCHEMBL5445825

Br.CCO[Si](OCC)(OCC)c1ccc(CN2C=CN(c3c(C)cc(C)cc3C)C2)cc1

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
Hydrochloric Acid SCHEMBL5444912 0.98 — —
Bromide SCHEMBL5439308 0.88 MGAM (0.30) —
SCHEMBL5694057 0.87 MGAM (0.31) —
Hydrochloric Acid SCHEMBL5439273 0.86 MGAM (0.30) —
Hydrochloric Acid SCHEMBL28712022 0.76 C5AR1 (0.40) —
SCHEMBL5691748 0.74 MGAM (0.34) —
Hydrochloric Acid SCHEMBL5457189 0.74 — —
Bromide SCHEMBL5455728 0.74 — —
SCHEMBL1046763 0.73 SLC22A12 (0.40) —
Bromide SCHEMBL5446117 0.72 — —

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-20070021615-A1 Imidazolium salts that can be immobilized MERCK PATENT GMBH (DE) 2007-01-25 — — US claimed
US-20070021615-A1 Imidazolium salts that can be immobilized MERCK PATENT GMBH (DE) 2007-01-25 — — US disclosed
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