SCHEMBL6525908

SCHEMBL6525908

O=C(Cl)C(F)(F)c1ccc(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 3/20 0.42
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
BCHE P06276 1/20 0.32
RIPK1 Q13546 1/20 0.31
KIF11 P52732 1/20 0.31
EPHX2 P34913 2/20 0.30
KCNQ3 O43525 2/20 0.30
KCNQ2 O43526 2/20 0.30
KCNE1 P15382 2/20 0.30
KCNQ1 P51787 2/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL28725224 0.82 CES2 (0.44) CES2CES1ALDH1A1ALOX15BCHE
SCHEMBL8880417 0.82 CES2 (0.43) CES2CES1ALDH1A1BCHERIPK1
SCHEMBL7413262 0.82 CES2 (0.43) CES2CES1ALDH1A1BCHERIPK1
SCHEMBL2974322 0.76 CES2 (0.39) CES2CES1KIF11
SCHEMBL5017691 0.76 CES2 (0.38) CES2CES1EPHX2
SCHEMBL6057560 0.76 ALDH1A1 (0.37) CES2CES1ALDH1A1ALOX15
SCHEMBL5419674 0.73 ALDH1A1 (0.47) CES2CES1ALDH1A1ALOX15KCNE1
SCHEMBL206670 0.73 CES2 (0.41) CES2CES1BCHEKIF11
SCHEMBL11286517 0.72 CES2 (0.37) CES2CES1KIF11
SCHEMBL6940594 0.72 HDAC4 (0.45) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12422394-B2 Devices and methods including a preconcentrator material for detection of analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2025-09-23 US disclosed
EP-4176960-A1 FILTER MATERIALS INCLUDING FUNCTIONALIZED CELLULOSE Massachusetts Institute of Technology (US) 2023-05-10 EP disclosed
EP-3041597-B1 FILTER MATERIALS INCLUDING FUNCTIONALIZED CELLULOSE MASSACHUSETTS INST TECHNOLOGY (US) 2022-11-02 EP disclosed
US-20220057352-A1 DEVICES AND METHODS INCLUDING A PRECONCENTRATOR MATERIAL FOR DETECTION OF ANALYTES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-02-24 US disclosed
US-11109619-B2 Filter materials including functionalized cellulose MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-09-07 US disclosed
US-20160231267-A1 DEVICES AND METHODS INCLUDING A PRECONCENTRATOR MATERIAL FOR DETECTION OF ANALYTES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-08-11 US disclosed
EP-3041597-A1 FILTER MATERIALS INCLUDING FUNCTIONALIZED CELLULOSE Massachusetts Institute of Technology (US) 2016-07-13 EP disclosed
EP-3041785-A1 DEVICES AND METHODS INCLUDING A PRECONCENTRATOR MATERIAL FOR DETECTION OF ANALYTES Massachusetts Institute of Technology (US) 2016-07-13 EP disclosed
US-20160192701-A1 FILTER MATERIALS INCLUDING FUNCTIONALIZED CELLULOSE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-07-07 US disclosed
WO-2015035236-A1 FILTER MATERIALS INCLUDING FUNCTIONALIZED CELLULOSE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-12 WO disclosed
WO-2015035243-A1 DEVICES AND METHODS INCLUDING A PRECONCENTRATOR MATERIAL FOR DETECTION OF ANALYTES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-12 WO disclosed
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed
US-4206120-A Oxaazabicycloheptane antibiotics BEECHAM GROUP LIMITED (GB) 1980-06-03 US disclosed