SCHEMBL3428067

SCHEMBL3428067

COCCS(=O)(=O)O.Cc1ccc(/C(=N/O)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 2/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 2/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 1/20 0.34
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MLYCD O95822 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL3428070 1.00 ALDH1A1 (0.42) ALDH1A1GAAALOX15HSD17B10CYP2C19
SCHEMBL3420951 0.88 ALDH1A1 (0.41) ALDH1A1GAAALOX15HSD17B10HPGD
SCHEMBL3420945 0.88 ALDH1A1 (0.41) ALDH1A1GAAALOX15HSD17B10HPGD
SCHEMBL3425946 0.82 ALDH1A1 (0.38) ALDH1A1GAAALOX15HSD17B10HPGD
SCHEMBL3425949 0.82 ALDH1A1 (0.38) ALDH1A1GAAALOX15HSD17B10HPGD
SCHEMBL3424971 0.80 ALDH1A1 (0.49) ALDH1A1GAACYP2C19HPGDMAPT
SCHEMBL3424979 0.80 ALDH1A1 (0.49) ALDH1A1GAACYP2C19HPGDMAPT
SCHEMBL3428068 0.79 CYP2C19 (0.39) ALDH1A1GAAHSD17B10CYP2C19HPGD
SCHEMBL4668497 0.78 ALDH1A1 (0.63) ALDH1A1GAAALOX15HSD17B10HPGD
SCHEMBL4668500 0.78 ALDH1A1 (0.63) ALDH1A1GAAALOX15HSD17B10HPGD

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-1472576-B1 SULFONATE DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2013-04-24 EP disclosed
US-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
US-20080286693-A1 Sulfonate derivatives and the use thereof as latent acids MATSUMOTO AKIRA 2008-11-20 US disclosed
US-7326511-B2 Sulfonate derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-05 US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 US disclosed
EP-1779104-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE Ciba SC Holding AG (CH) 2007-05-02 EP disclosed
WO-2006015962-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-02-16 WO disclosed