Tempol Hydroxylamine

Tempol Hydroxylamine

SCHEMBL7516297

CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.O=S(=O)(O)O

nearest known ligand 0.46

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Tempol Hydroxylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
Tempol Hydroxylamine SCHEMBL986308 1.00 GAA (0.46) GAAL3MBTL1KDM4EALDH1A1ALOX15
Tempol Hydroxylamine SCHEMBL23902 0.88 GAA (0.56) GAAL3MBTL1KDM4EALDH1A1ALOX15
Tempol Hydroxylamine SCHEMBL7099824 0.86 GAA (0.50) GAAL3MBTL1KDM4EALDH1A1ALOX15
Tempol Hydroxylamine SCHEMBL987556 0.85 GAA (0.54) GAAL3MBTL1KDM4EALDH1A1ALOX15
Tempol Hydroxylamine SCHEMBL8358933 0.82 GAA (0.46) GAAL3MBTL1KDM4EALDH1A1ALOX15
Tempol Hydroxylamine SCHEMBL7526287 0.82 GAA (0.46) GAAL3MBTL1KDM4EALDH1A1ALOX15
Tempol Hydroxylamine SCHEMBL986355 0.82 GAA (0.46) GAAL3MBTL1KDM4EALDH1A1ALOX15
Tempol Hydroxylamine SCHEMBL31285654 0.82 GAA (0.46) GAAL3MBTL1KDM4EALDH1A1ALOX15
Sulfuric Acid SCHEMBL986480 0.82 GAA (0.32) GAAL3MBTL1
Sulfuric Acid SCHEMBL7530724 0.80 GAA (0.40) GAAL3MBTL1KDM4EALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464739-B1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2016-01-13 EP claimed
US-6500303-B1 DERIVATIVES OF 1-OXYL-2,2,6,6-TETRAMETHYL-PIPERIDIN-4-OL; PROTECTION FROM ULTRAVIOLET, FLUORESCENT AND SUN LIGHT EXPOSURE CIBA SPECIALTY CHEMICALS CORPORATION 2002-12-31 US disclosed
US-20020124980-A1 Inhibition of pulp and paper yellowing using nitroxides, hydroxylamines and other coadditives SELTZER RAYMOND R (US) 2002-09-12 US disclosed
US-6447644-B1 PULP OR PAPER THAT STILL CONTAINS LIGNIN, AND A STERICALLY HINDERED AMINE, FOR EXAMPLE DERIVATIVES OF 1-OXYL-2,2,6,6-TETRAMETHYL-PIPERIDIN-4-OL CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-10 US disclosed
US-6254724-B1 STABILIZING AMOUNT OF A HINDERED AMINE COMPOUND SELECTED DERIVATIVES OF 1-OXYL-2,2,6,6-TETRAMETHYL-PIPERIDIN-4-OL OR WHICH ARE THEIR HYDROXYLAMINE SALTS CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-03 US disclosed
EP-1000032-A1 INHIBITION OF PULP AND PAPER YELLOWING USING NITROXIDES AND OTHER COADDITIVES Ciba SC Holding AG (CH) 2000-05-17 EP disclosed
WO-1999005108-A1 INHIBITION OF PULP AND PAPER YELLOWING USING NITROXIDES AND OTHER COADDITIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-02-04 WO disclosed