SCHEMBL9751967

SCHEMBL9751967

C=CC(=O)NC(C)(CC)CS(=O)(=O)O.[Na]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TGM2 P21980 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL363117 0.98 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
Ammonia Solution, Strong SCHEMBL9221695 0.97 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL7218071 0.97 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL7625494 0.90 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL18333661 0.86 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL2558765 0.85 ZDHHC20 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL5885009 0.85 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL4613505 0.83 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL457052 0.83 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL8680258 0.83 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20

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
US-11390794-B2 Robust alkyl ether sulfate mixture for enhanced oil recovery BASF SE (DE) 2022-07-19 US disclosed
EP-3684879-A1 ROBUST ALKYL ETHER SULFATE MIXTURE FOR ENHANCED OIL RECOVERY BASF SE (DE) 2020-07-29 EP disclosed
US-20200216747-A1 ROBUST ALKYL ETHER SULFATE MIXTURE FOR ENHANCED OIL RECOVERY BASF SE (DE) 2020-07-09 US disclosed
CN-111373014-A Robust alkyl ether sulfate mixtures for enhanced oil recovery 巴斯夫欧洲公司 2020-07-03 CN disclosed
WO-2019057769-A1 ROBUST ALKYL ETHER SULFATE MIXTURE FOR ENHANCED OIL RECOVERY BASF SE (DE) 2019-03-28 WO disclosed
EP-0456820-A1 PRINT RETAINING COATINGS AND COATING COMPOSITIONS FOR THE PREPARATION THEREOF. EASTMAN KODAK CO (US) 1991-11-21 EP disclosed
WO-1991008513-A2 PRINT RETAINING COATINGS AND COATING COMPOSITIONS FOR THE PREPARATION THEREOF EASTMAN KODAK COMPANY (US) 1991-06-13 WO disclosed