SCHEMBL14227199

SCHEMBL14227199

FC(F)(F)c1cc(B2Oc3ccccc3O2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX1 P51575 3/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
KIF11 P52732 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CES2 O00748 1/20 0.32
TACR1 P25103 4/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAPK1 P28482 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 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
SCHEMBL18538219 0.88 TAS2R14 (0.36) TSHRALDH1A1
SCHEMBL18538231 0.88 AHR (0.33) TSHRALDH1A1P2RX1TACR1
SCHEMBL14227187 0.85 TSHR (0.41) TSHRALDH1A1IDO1TDO2KIF11
SCHEMBL14227193 0.82 P2RX1 (0.33) P2RX1P2RX7
SCHEMBL10379650 0.80 CES2 (0.39) TSHRALDH1A1P2RX1IDO1CES2
SCHEMBL14227227 0.76 CES2 (0.31) IDO1CES2
SCHEMBL6680366 0.74 CES2 (0.39) TSHRALDH1A1IDO1CES2MAPT
SCHEMBL14227196 0.74 CYP19A1 (0.33) CES2
SCHEMBL14227219 0.73 CES2 (0.32) CES2
SCHEMBL12062043 0.72 CES2 (0.39) TSHRALDH1A1KIF11CES2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3337810-B1 COMPOUND LIBRARY PREPARATION PROCESS BASED ON EXCHANGE REACTION BETWEEN DIFERENTLY SUBSTITUTED DIOXABOROLANES OR DIOXABORINANES ECOLE SUPERIEURE PHYSIQUE & CHIMIE IND VILLE DE PARIS (FR) 2021-03-24 EP disclosed
EP-3337833-B1 POLYMER COMPOSITIONS COMPRISING CROSS-LINKED POLYMERS COMPRISING BORONIC ESTER FUNCTIONS ENABLING EXCHANGE REACTIONS, PROCESS FOR PREPARING THEM AND THEIR USE ECOLE SUPERIEURE PHYSIQUE & CHIMIE IND VILLE DE PARIS (FR) 2020-03-25 EP disclosed
EP-3337834-B1 POLYMER COMPOSITIONS COMPRISING CROSS-LINKED POLYMERS COMPRISING BORONIC ESTER FUNCTIONS ENABLING EXCHANGE REACTIONS, PROCESS FOR PREPARING THEM AND THEIR USE ECOLE SUPERIEURE PHYSIQUE & CHIMIE IND VILLE DE PARIS (FR) 2019-06-26 EP disclosed
US-10329414-B2 Boronic polymer crosslinking ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2019-06-25 US disclosed
US-10011711-B2 Polymer compositions comprising cross-linked polymers comprising boronic ester functions enabling exchange reactions, process for preparing them and their use ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2018-07-03 US disclosed
US-10005900-B2 Polymer compositions comprising cross-linked polymers comprising boronic ester functions enabling exchange reactions, process for preparing them and their use ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2018-06-26 US disclosed
US-20170051144-A1 POLYMER COMPOSITIONS COMPRISING CROSS-LINKED POLYMERS COMPRISING BORONIC ESTER FUNCTIONS ENABLING EXCHANGE REACTIONS, PROCESS FOR PREPARING THEM AND THEIR USE ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-02-23 US disclosed
US-20170050163-A1 COMPOUND LIBRARY PREPARATION PROCESS ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-02-23 US disclosed
WO-2017029411-A1 COMPOUND LIBRARY PREPARATION PROCESS BASED ON EXCHANGE REACTION BETWEEN DIFERENTLY SUBSTITUTED DIOXABOROLANES OR DIOXABORINANES ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-02-23 WO disclosed
WO-2017029412-A1 POLYMER COMPOSITIONS COMPRISING CROSS-LINKED POLYMERS COMPRISING BORONIC ESTER FUNCTIONS ENABLING EXCHANGE REACTIONS, PROCESS FOR PREPARING THEM AND THEIR USE ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-02-23 WO disclosed
WO-2017029413-A1 POLYMER COMPOSITIONS COMPRISING CROSS-LINKED POLYMERS COMPRISING BORONIC ESTER FUNCTIONS ENABLING EXCHANGE REACTIONS, PROCESS FOR PREPARING THEM AND THEIR USE ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-02-23 WO disclosed
US-20170051117-A1 POLYMER COMPOSITIONS COMPRISING CROSS-LINKED POLYMERS COMPRISING BORONIC ESTER FUNCTIONS ENABLING EXCHANGE REACTIONS, PROCESS FOR PREPARING THEM AND THEIR USE ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-02-23 US disclosed
US-20120313570-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY, AND BATTERY PACK, ELECTRONIC APPLIANCE, ELECTRIC VEHICLE, ELECTRICITY STORAGE APPARATUS, AND ELECTRIC POWER SYSTEM EACH USING NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-12-13 US disclosed
US-20120313570-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY, AND BATTERY PACK, ELECTRONIC APPLIANCE, ELECTRIC VEHICLE, ELECTRICITY STORAGE APPARATUS, AND ELECTRIC POWER SYSTEM EACH USING NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-12-13 US disclosed