Phosphoric Acid

Phosphoric Acid

SCHEMBL9549735

CCN(CC)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CCN(CC)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CCN(CC)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=P([O-])([O-])[O-]

nearest known ligand 0.54

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. 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
▸ KCNH2 known ✓ Q12809 2/20 0.41
▸ ADRA1A known ✓ P35348 1/20 0.41
▸ OPRM1 known ✓ P35372 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.54
▸ HIF1A Q16665 1/20 0.42
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ FDPS P14324 2/20 0.41
▸ CACNA2D1 P54289 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
Bromide SCHEMBL9549787 0.90 SIGMAR1 (0.61) SIGMAR1HIF1AKCNH2CHRM2CHRM1
Hydrochloric Acid SCHEMBL9549734 0.90 SIGMAR1 (0.61) SIGMAR1HIF1AKCNH2CHRM2CHRM1
Acetic Acid SCHEMBL9549728 0.88 SIGMAR1 (0.51) SIGMAR1HIF1AKCNH2CHRM2CHRM1
Acetic Acid SCHEMBL9848338 0.87 SIGMAR1 (0.50) SIGMAR1HIF1AKCNH2CHRM2CHRM1
Bromide SCHEMBL9851216 0.85 SIGMAR1 (0.58) SIGMAR1HIF1AKCNH2CHRM2CHRM1
Phosphoric Acid SCHEMBL9549586 0.84 HTR2A (0.47) SIGMAR1HIF1ACYP1A2CYP2D6ALDH1A1
Bromide SCHEMBL9239994 0.83 SIGMAR1 (0.56) SIGMAR1HIF1AKCNH2CHRM2CHRM1
Phosphoric Acid SCHEMBL8972445 0.80 HIF1A (0.48) HIF1ACYP1A2CYP2D6ALDH1A1TSHR
Butyltriphenylphosphonium SCHEMBL8972698 0.80 HIF1A (0.52) HIF1AFDPSCYP1A2CYP2D6MEN1
SCHEMBL8536686 0.78 SIGMAR1 (0.56) SIGMAR1HIF1AKCNH2CHRM2CHRM1

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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