Bromide

Bromide

SCHEMBL9549849

CC(C)N(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C.[Br-]

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 known ✓ P08172 4/20 0.42
▸ CHRM1 known ✓ P11229 4/20 0.42
▸ CHRM3 known ✓ P20309 3/20 0.42
▸ CHRM5 known ✓ P08912 2/20 0.42
▸ CHRM4 known ✓ P08173 1/20 0.42
▸ HRH2 known ✓ P25021 1/20 0.42
▸ HIF1A Q16665 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HRH1 P35367 5/20 0.42
▸ HTR2A P28223 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KCNE1 P15382 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42

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
Hydrochloric Acid SCHEMBL9549668 0.96 HIF1A (0.54) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Phosphoric Acid SCHEMBL9549605 0.88 HIF1A (0.45) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Acetic Acid SCHEMBL9549671 0.86 TSHR (0.47) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Acetic Acid SCHEMBL9848342 0.85 TSHR (0.46) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Bromide SCHEMBL9549539 0.82 HIF1A (0.52) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Bromide SCHEMBL143506 0.79 HIF1A (0.58) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL9549838 0.78 HIF1A (0.52) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL9549567 0.75 HIF1A (0.58) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Iodide SCHEMBL9549744 0.75 HIF1A (0.58) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Water SCHEMBL8528580 0.75 HIF1A (0.58) HIF1AALDH1A1CYP1A2CYP2D6TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208317-A Molding materials of cured epoxy resins THE DOW CHEMICAL COMPANY (US) 1993-05-04 — — US disclosed
US-5109099-A ADVANCING EPOXY RESINS IN PRESENCE OF AMINO GROUP-CONTAINING PHOSPHONIUM CATALYST THE DOW CHEMICAL COMPANY (US) 1992-04-28 — — US disclosed
EP-0441243-A2 Precatalyzed catalyst compositions, process for preparing epoxy resins, curable compositions, articles resulting from curing the resultant compositions THE DOW CHEMICAL COMPANY (US) 1991-08-14 — — EP disclosed
US-4981926-A Rapid and selective curing using phosphonium catalyst containing an amine group; polyepoxides THE DOW CHEMICAL COMPANY (US) 1991-01-01 — — US disclosed
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