SCHEMBL3843945

SCHEMBL3843945

C=C(F)C(=O)OCCOCCOC12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL8202340 0.79 THRB (0.48) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL8201733 0.79 THRB (0.48) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL3847178 0.73
SCHEMBL8201724 0.73 THRB (0.43) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL949335 0.71 CYP2C19 (0.41) ALDH1A1
SCHEMBL951845 0.71
SCHEMBL822922 0.71 TSHR (0.48) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL22985816 0.71 THRB (0.46) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL18873594 0.71 THRB (0.41) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL949106 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090148706-A1 OPTICAL WAVEGUIDE HAVING PERFLUOROADAMANTANE STRUCTURE OMRON CORPORATION (JP) 2009-06-11 US disclosed
EP-2015113-A1 OPTICAL WAVEGUIDE HAVING PERFLUOROADAMANTANE STRUCTURE Omron Corporation (JP) 2009-01-14 EP disclosed