Bromide

Bromide

SCHEMBL5446117

Br.CCO[Si](CCCN1C=CN(c2c(C)cc(C)cc2C)C1)(OCC)OCC

nearest known ligand 0.00

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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
SCHEMBL5694006 0.99 — —
Hydrochloric Acid SCHEMBL5445997 0.97 — —
Bromide SCHEMBL5443576 0.87 — —
Hydrochloric Acid SCHEMBL5450117 0.85 — —
Bromide SCHEMBL1882250 0.81 SIGMAR1 (0.34) —
SCHEMBL17447703 0.81 HRH3 (0.33) —
Bromide SCHEMBL1882150 0.80 CRHR1 (0.32) —
Bromide SCHEMBL1658465 0.80 MAPT (0.33) —
SCHEMBL16206227 0.80 SIGMAR1 (0.35) —
SCHEMBL17447715 0.79 HRH3 (0.32) —

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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