Phosphoric Acid

Phosphoric Acid

SCHEMBL9067659

Cc1ccc([P+](C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([P+](C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([P+](C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=P([O-])([O-])[O-]

nearest known ligand 0.41

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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
HPGD P15428 1/20 0.41
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
ACHE P22303 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 2/20 0.36
MMP8 P22894 2/20 0.36
CA9 Q16790 2/20 0.36
MMP2 P08253 2/20 0.36
CA14 Q9ULX7 1/20 0.36
GBA1 P04062 1/20 0.36
FDFT1 P37268 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
Iodide SCHEMBL9067569 0.82 ACHE (0.50) TSHRLMNAACHETDP1CA1
Bromide SCHEMBL9067693 0.82 ACHE (0.50) TSHRLMNAACHETDP1CA1
Hydrochloric Acid SCHEMBL1955169 0.82 ACHE (0.50) TSHRLMNAACHETDP1CA1
Acetic Acid SCHEMBL9068172 0.79 MAPT (0.42) HPGDLMNAACHETDP1MEN1
P-Xylene SCHEMBL10690560 0.79 ACHE (0.53) HPGDTSHRLMNAACHETDP1
Phosphoric Acid SCHEMBL8972960 0.78 ALDH1A1 (0.40) TDP1MEN1KMT2AGAAFDFT1
P-Xylene SCHEMBL28237278 0.76 LMNA (0.52) HPGDTSHRLMNAACHETDP1
Phosphoric Acid SCHEMBL7193240 0.76 LMNA (0.40) HPGDTSHRLMNAACHETDP1
SCHEMBL9633418 0.76 GAA (0.48) TSHRLMNATDP1CYP3A4MEN1
SCHEMBL8375414 0.75 ACHE (0.42) TSHRLMNAACHETDP1CA1

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-5534565-A DICYANDIAMIDE DERIVATIVES FOR LAMINATES ALLIEDSIGNAL INC. (US) 1996-07-09 US disclosed
WO-1994014866-A1 SOLVENT FREE EPOXY RESIN COMPOSITIONS ALLIEDSIGNAL, INC. (US) 1994-07-07 WO disclosed