SCHEMBL9546113

SCHEMBL9546113

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

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL9747111 0.83 ALDH1A1 (0.42) ALDH1A1
SCHEMBL9546117 0.80 ALDH1A1 (0.41) ALDH1A1
SCHEMBL12622354 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL12621409 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL12621410 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9546125 0.77 TSHR (0.37) ALDH1A1
SCHEMBL4887464 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL28703822 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL23466342 0.75 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9546135 0.74 TSHR (0.46) ALDH1A1

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
WO-1993023773-A1 PROCESS FOR PREPARATION OF OXYGEN PERMEABLE POLYMER MATERIAL CIBA-GEIGY AG (CH) 1993-11-25 WO disclosed