SCHEMBL22498769

SCHEMBL22498769

CN(C)C(=O)CCC(C)(C)C(=O)OF

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL4954684 0.82 ALDH1A1 (0.39) ALDH1A1CYP4F2CYP4A11CHRNB2CHRNB4
SCHEMBL10046557 0.75 ALDH1A1 (0.43) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL7781957 0.73 ELANE (0.46) ALDH1A1CYP4F2CYP4A11
SCHEMBL8570761 0.72 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL13228766 0.71 THRB (0.46) ALDH1A1CYP4F2CYP4A11
SCHEMBL23771017 0.70 ALDH1A1 (0.46) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL14675377 0.70 ALDH1A1 (0.46) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL22842728 0.69 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL7779036 0.69 CYP4F2 (0.44) CYP4F2CYP4A11
SCHEMBL23754688 0.69 ALDH1A1 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA4

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-3947523-A1 PROCESS FOR SYNTHESISING SEMI-AROMATIC POLYETHERS ROQUETTE FRERES (FR) 2022-02-09 EP disclosed
WO-2020201532-A1 PROCESS FOR SYNTHESISING SEMI-AROMATIC POLYETHERS ROQUETTE FRERES (FR) 2020-10-08 WO disclosed