SCHEMBL671802

SCHEMBL671802

CC(C)C(=O)OC(C)(C)C(C)CCCO

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.36
CYP4A11 Q02928 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN1 P18031 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
SCHEMBL28229130 0.84
SCHEMBL28111062 0.81 TDP1 (0.36) CYP4F2CYP4A11TDP1PTPN1
SCHEMBL9768848 0.81 CA1 (0.33) TDP1
SCHEMBL27646801 0.78 TDP1 (0.36) CYP4F2CYP4A11TDP1PTPN1
SCHEMBL27810615 0.76 TDP1 (0.39) CYP4F2CYP4A11TDP1PTPN1
SCHEMBL987657 0.76 CHRM1 (0.38) TDP1
SCHEMBL16124199 0.76 CA1 (0.31)
SCHEMBL19115402 0.75 POLB (0.32) TDP1
SCHEMBL9608673 0.73 ELANE (0.31)
SCHEMBL27498448 0.69 CHRNB2 (0.32) TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130202860-A1 CHLORINE-FREE INK AND COATING COMPOSITIONS & A METHOD FOR PRINTING ON UNTREATED POLYOLEFIN FILMS WITH IMPROVED ADHESION SUN CHEMCIAL CORPORATION 2013-08-08 US claimed
EP-2606096-A1 CHLORINE-FREE INK AND COATING COMPOSITIONS&A METHOD FOR PRINTING ON UNTREATED POLYOLEFIN FILMS WITH IMPROVED ADHESION Sun Chemical Corporation (US) 2013-06-26 EP claimed
WO-2012024472-A1 CHLORINE-FREE INK AND COATING COMPOSITIONS & A METHOD FOR PRINTING ON UNTREATED POLYOLEFIN FILMS WITH IMPROVED ADHESION SUN CHEMICAL CORPORATION (US) 2012-02-23 WO claimed
EP-3618798-A1 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2020-03-11 EP disclosed