Bromide

Bromide

SCHEMBL5601330

Cc1cc2ccccc2n1C1=Cc2ccccc2C1[Zr+2]C1C(n2c(C)cc3ccccc32)=Cc2ccccc21.[Br-].[Br-]

nearest known ligand 0.34

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Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SLC6A2 P23975 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Fluoride Ion SCHEMBL5602848 0.97 MAPT (0.34) MAPTRXFP1SLC6A2
Hydrochloric Acid SCHEMBL5600521 0.97 MAPT (0.34) MAPTRXFP1SLC6A2
Hydrochloric Acid SCHEMBL5599890 0.91 MAPT (0.31) MAPTRXFP1SLC6A2
Hydrochloric Acid SCHEMBL5602891 0.90 MAPT (0.31) MAPTRXFP1
Hydrochloric Acid SCHEMBL5600263 0.89 MAPT (0.30) MAPTRXFP1
Hydrochloric Acid SCHEMBL5603219 0.87
Hydrochloric Acid SCHEMBL5603005 0.87
Hydrochloric Acid SCHEMBL5602164 0.86
Fluoride Ion SCHEMBL5602392 0.86
Hydrochloric Acid SCHEMBL5600140 0.82

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-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed