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SCHEMBL3428068

SCHEMBL3428068

COCCS(=O)(=O)ON=C(c1ccc(C)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MLYCD O95822 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL3420948 0.88 KMT2A (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14274503 0.88 KMT2A (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13713470 0.86 GAA (0.33) CYP2C19ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL14707495 0.83 L3MBTL1 (0.39) ALDH1A1MLYCD
SCHEMBL14839202 0.82 KMT2A (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3425947 0.82 HPGD (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3424974 0.80 ALDH1A1 (0.52) CYP2C19ALDH1A1HPGDTDP1MAPT
SCHEMBL13713469 0.79 PLA2G4B (0.39) NPC1RAB9AMAPTGAAHSD17B10
SCHEMBL3428067 0.79 ALDH1A1 (0.42) CYP2C19ALDH1A1NPC1RAB9AALOX12
SCHEMBL3428070 0.79 ALDH1A1 (0.42) CYP2C19ALDH1A1NPC1RAB9AALOX12

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 11 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-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-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-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
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