SCHEMBL9745534

SCHEMBL9745534

C=C(C(=O)OC(C)C)C(F)(F)CF

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 3/20 0.34
TSHR P16473 2/20 0.33
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
PTPN1 P18031 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
SCHEMBL9578469 0.81
SCHEMBL9578485 0.81
SCHEMBL1958622 0.79 TSHR (0.39) XPO1TSHRADRA1APDE4DPTPN1
SCHEMBL9747242 0.78 TSHR (0.37) XPO1TSHRADRA1APDE4DPTPN1
SCHEMBL9578258 0.78 ALDH1A1 (0.41)
SCHEMBL9578285 0.74 ALDH1A1 (0.42) TSHR
SCHEMBL9747666 0.73 TSHR (0.40) TSHRADRA1APDE4D
SCHEMBL27977194 0.72 THRB (0.38) XPO1TSHRADRA1APDE4D
SCHEMBL9578286 0.72 TSHR (0.38) TSHR
SCHEMBL9578397 0.72 KDM4E (0.30) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed