SCHEMBL5528375

SCHEMBL5528375

CC(=O)OCC(F)(F)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GALR3 O60755 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 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
SCHEMBL10633499 0.83 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL11157859 0.79 HTT (0.30) HTT
SCHEMBL14733092 0.78 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL8400164 0.78 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL7920970 0.77 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL8606731 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11691069 0.76 HTT (0.36) HTT
SCHEMBL11528628 0.75 LMNA (0.37) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1434500 0.75 LMNA (0.46) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL5576745 0.75 LMNA (0.37) ALDH1A1LMNAHSD17B10MEN1KMT2A

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-1854160-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-11-14 EP claimed
WO-2006085319-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2006-08-17 WO claimed
US-20220290962-A1 SYSTEMS AND METHODS FOR SIMULATING BLAST EFFECTS OF AN EXPLOSIVE LAYER 3 SERVICES PTY LTD (AU) 2022-09-15 US disclosed
WO-2022153314-A1 A PROCESS FOR BLASTING TAMAR ISRAELI ADVANCED QUARRYING CO. LTD (IL) 2022-07-21 WO disclosed
EP-3228624-A2 REDOX-ACTIVE CHROMOPHORE MOLECULES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2017-10-11 EP disclosed
EP-1854160-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-11-14 EP disclosed
WO-2006085319-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2006-08-17 WO disclosed