Pyrogallol

Pyrogallol

SCHEMBL5388307

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.Oc1cccc(O)c1O

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.43
CA1 P00915 18/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
ADAMTS4 O75173 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
FYN P06241 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CA6 P23280 1/20 0.43
CDK2 P24941 1/20 0.43
MMP12 P39900 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
MMP1 P03956 2/20 0.37

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
Pyrogallol SCHEMBL28700518 1.00 CA2 (0.43) CA2CA1MMP2MMP9MMP8
Pyrogallol SCHEMBL704091 0.82 ALDH1A1 (0.57) CA2CA1MMP2MMP9MMP8
Pyrogallol SCHEMBL16714223 0.82 ALDH1A1 (0.57) CA2CA1MMP2MMP9MMP8
Hydroquinone SCHEMBL575914 0.81 CA2 (0.42) CA2CA1MMP2MMP9MMP8
Trifluoromethanesulfonic Acid SCHEMBL17784200 0.78 CA2 (0.50) CA2CA1MMP2MMP9MMP8
SCHEMBL23932 0.78 CA2 (0.54) CA2CA1MMP2MMP9MMP8
SCHEMBL30354089 0.78 CA2 (0.54) CA2CA1MMP2MMP9MMP8
Trifluoromethanesulfonic Acid SCHEMBL28495958 0.76 CA2 (0.48) CA2CA1MMP2MMP9MMP8
Fluoride SCHEMBL1995965 0.76 CA2 (0.52) CA2CA1MMP2MMP9MMP8
SCHEMBL24140 0.76 CA2 (0.56) CA2CA1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7258962-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2007-08-21 US disclosed
US-20060188812-A1 Phenolic hydroxyl group-containing copolymer and radiation-sensitive resin composition JSR CORPORATION (JP) 2006-08-24 US disclosed
EP-1686424-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2006-08-02 EP disclosed
US-20060166138-A1 Radiation-sensitive resin composition JSR CORPORATION 2006-07-27 US disclosed
US-20050244747-A1 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2005-11-03 US disclosed
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
US-6506537-B2 Photopolymerization JSR CORPORATION (JP) 2003-01-14 US disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP disclosed
US-20020012872-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-01-31 US disclosed
EP-1164433-A1 Radiation-sensitive resin composition JSR Corporation (JP) 2001-12-19 EP disclosed