SCHEMBL9747111

SCHEMBL9747111

C=C(CC(F)F)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TGFBR1 P36897 1/20 0.31
TET2 Q6N021 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL9546113 0.83 ALDH1A1 (0.39) ALDH1A1
SCHEMBL12621410 0.81 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL12622354 0.81 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL12621409 0.81 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL4887464 0.79 ALDH1A1 (0.44) ALDH1A1TGFBR1TET2EGLN1TSHR
SCHEMBL28703822 0.79 ALDH1A1 (0.44) ALDH1A1TGFBR1TET2EGLN1TSHR
SCHEMBL23466342 0.78 ALDH1A1 (0.39) ALDH1A1TET2
SCHEMBL9747340 0.78 TSHR (0.36) TSHR
SCHEMBL9746496 0.78 ALDH1A1 (0.44) ALDH1A1EGLN1TSHR
SCHEMBL6891698 0.77 ALDH1A1 (0.42) ALDH1A1TGFBR1TET2EGLN1TSHR

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