SCHEMBL1768632

SCHEMBL1768632

O=C(O)N(CCCCCCN(CC(F)(F)F)C(=O)O)CC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.32
CES1 P23141 8/20 0.32
CA14 Q9ULX7 1/20 0.31
CES2 O00748 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1758831 0.90 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15224878 0.90 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15225307 0.90 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15224778 0.90 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15225125 0.87
SCHEMBL15225101 0.86 THRB (0.31)
SCHEMBL1758795 0.85 CA12 (0.45) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15224707 0.84
SCHEMBL15225326 0.84 THRB (0.33)
SCHEMBL1768333 0.83 MAOA (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2497082-B1 Fluorurethane as additive in a photopolymer formulation BAYER IP GMBH (DE) 2013-09-04 EP disclosed
EP-2497082-A1 FLUOROURETHANE AS AN ADDITIVE IN A PHOTOPOLYMER FORMULATION Bayer MaterialScience AG (DE) 2012-09-12 EP disclosed
WO-2011054795-A1 FLUOROURETHANE AS AN ADDITIVE IN A PHOTOPOLYMER FORMULATION BAYER MATERIALSCIENCE AG (DE) 2011-05-12 WO disclosed