Phosphoric Acid

Phosphoric Acid

SCHEMBL9067665

Cc1ccccc1[P+](C)(c1ccccc1C)c1ccccc1C.Cc1ccccc1[P+](C)(c1ccccc1C)c1ccccc1C.Cc1ccccc1[P+](C)(c1ccccc1C)c1ccccc1C.O=P([O-])([O-])[O-]

nearest known ligand 0.38

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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 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ACHE P22303 2/20 0.38
HPGD P15428 1/20 0.36
ACP3 P15309 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ESR1 P03372 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CYP3A4 P08684 1/20 0.30

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 SCHEMBL1955171 0.84 TSHR (0.47) TSHRACHEALDH1A1TDP1ESR1
Acetic Acid SCHEMBL9068177 0.81 ALDH1A1 (0.39) TSHRACHEHPGDHSD17B10ALDH1A1
Phosphoric Acid SCHEMBL7200448 0.78 ACP3 (0.36) TSHRACHEHPGDACP3HSD17B10
O-Xylene SCHEMBL38665313 0.76 TSHR (0.59) TSHRACHEHPGDACP3HSD17B10
O-Xylene SCHEMBL10690565 0.76 TSHR (0.59) TSHRACHEHPGDACP3HSD17B10
SCHEMBL8376844 0.75 PGR (0.33) TSHRACHEHPGDALDH1A1TDP1
Phosphoric Acid SCHEMBL9067731 0.75 ACP3 (0.34) HPGDACP3ALDH1A1TDP1
Phosphoric Acid SCHEMBL7195799 0.74 LAP3 (0.40) TSHRHPGDACP3ALDH1A1L3MBTL1
SCHEMBL9777686 0.74 GAA (0.41) ALDH1A1TDP1CA1CA2CA7
Phosphoric Acid SCHEMBL7195775 0.72 ACP3 (0.36) HPGDACP3ALDH1A1TDP1

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