SCHEMBL4550800

SCHEMBL4550800

COC(C)(C)COCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
Flurothyl SCHEMBL27424241 0.76 CA1 (0.35) ALDH1A1
Flurothyl SCHEMBL120937 0.76 CA1 (0.38) ALDH1A1
SCHEMBL10202617 0.75 CYP2C19 (0.33)
SCHEMBL17921281 0.75 CA1 (0.31)
Flurothyl SCHEMBL28011846 0.73 CA1 (0.36) ALDH1A1
Flurothyl SCHEMBL28512508 0.73 CA1 (0.36) ALDH1A1
SCHEMBL12697346 0.72
SCHEMBL21236623 0.72 CYP2D6 (0.43) ALDH1A1TSHRTDP1
SCHEMBL14814529 0.71 ALDH1A1 (0.47) ALDH1A1TSHRTDP1
SCHEMBL25844352 0.70 ALDH1A1 (0.32) ALDH1A1TSHRTDP1

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-20120116015-A1 Reducing the Telogenic Behavior of Hydrocarbon-Containing Surfactants in Aqueous Dispersion Fluoromonomer Polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 US disclosed
US-20120116017-A1 Nucleation in Aqueous Polymerization of Fluoromonomer E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 US disclosed