SCHEMBL14217989

SCHEMBL14217989

CC(C)(O)CCC(C)(C)C(F)(F)CC(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL13063727 0.81
SCHEMBL28722221 0.71 ALDH1A1 (0.77) ALDH1A1
SCHEMBL17837076 0.69 ALDH1A1 (0.45) ALDH1A1
SCHEMBL1358704 0.67
SCHEMBL37987 0.67 ALDH1A1 (1.00) ALDH1A1
SCHEMBL22149845 0.67 ALDH1A1 (0.59) ALDH1A1
SCHEMBL12274364 0.66 ALDH1A1 (0.67) ALDH1A1
SCHEMBL13904886 0.65 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2513861 0.65 ALDH1A1 (0.48) ALDH1A1
SCHEMBL3279395 0.65 ALDH1A1 (0.48) 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
US-20080113573-A1 Partially fluorinated amino acid derivatives as gelling and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY 2008-05-15 US disclosed