SCHEMBL509827

SCHEMBL509827

FC(F)(F)[Si](O[SiH3])(c1ccccc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL1052239 0.70 CES1 (0.36) NR1H2NR1H3ALDH1A1TSHRESR1
SCHEMBL913097 0.67 ESR1 (0.32) ALDH1A1TSHRESR1ESR2
SCHEMBL9900193 0.67 ESR1 (0.32) ALDH1A1TSHRESR1ESR2
SCHEMBL28427359 0.67 ESR1 (0.32) ALDH1A1TSHRESR1ESR2
SCHEMBL1049841 0.67 ALDH1A1 (0.41) NR1H2NR1H3ALDH1A1TSHRESR1
SCHEMBL1051334 0.67 ALDH1A1 (0.41) NR1H2NR1H3ALDH1A1TSHRESR1
SCHEMBL1053231 0.67 ALDH1A1 (0.41) NR1H2NR1H3ALDH1A1TSHRESR1
Methane SCHEMBL2931201 0.65 ESR1 (0.31) TSHRESR1ESR2
Methane SCHEMBL134744 0.65 ESR1 (0.31) TSHRESR1ESR2
SCHEMBL31318429 0.64 MAPK1 (0.34) ALDH1A1ESR1ESR2

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
US-9725326-B2 Hydrophilic silica as filler for silicone rubber formulations EVONIK DEGUSSA GMBH (DE) 2017-08-08 US disclosed
EP-2448865-B1 HYDROPHILIC SILICA AS FILLER FOR SILICONE RUBBER FORMULATIONS EVONIK DEGUSSA GMBH (DE) 2016-09-21 EP disclosed
EP-2448865-A1 HYDROPHILIC SILICA AS FILLER FOR SILICONE RUBBER FORMULATIONS Evonik Degussa GmbH (DE) 2012-05-09 EP disclosed
US-20120029136-A1 HYDROPHILIC SILICA AS FILLER FOR SILICONE RUBBER FORMULATIONS EVONIK DEGUSSA GMBH (DE) 2012-02-02 US disclosed
WO-2011000133-A1 HYDROPHILIC SILICA AS FILLER FOR SILICONE RUBBER FORMULATIONS EVONIK DEGUSSA GMBH (DE) 2011-01-06 WO disclosed
US-6846865-B2 Silicone rubber formulations with hydrophobic silicas DEGUSSA AG (DE) 2005-01-25 US disclosed
US-20030181565-A1 Silicone rubber formulations with hydrophobic silicas DEGUSSA AG (DE) 2003-09-25 US disclosed
US-4360388-A Cerium containing precipitated silica, process for its production DEGUSSA AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed
US-4308074-A TREATING WITH HYDROPHOBIC AGENT DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-12-29 US disclosed
US-4273589-A HYDROPHOBIC, REINFORCING FILLER FOR ELASTOMER DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-06-16 US disclosed
US-4208316-A REINFORCING FILLER HARDENABLE ELASTOMERS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-06-17 US disclosed