SCHEMBL4632110

SCHEMBL4632110

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

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MLYCD O95822 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
SCHEMBL245112 0.82 ALDH1A1 (0.50) ALDH1A1
SCHEMBL22605826 0.82 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6150931 0.78 ALDH1A1 (0.61) ALDH1A1
SCHEMBL28174335 0.78 MIF (0.32)
SCHEMBL27782600 0.77 ALDH1A1 (0.58) ALDH1A1
SCHEMBL22620067 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6567119 0.77 MIF (0.31)
SCHEMBL25289198 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL38663734 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL27814500 0.76 ALDH1A1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924240-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2008-05-28 EP disclosed
WO-2007033252-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2007-03-22 WO disclosed