SCHEMBL13664644

SCHEMBL13664644

C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(OC(=O)CCc3ccc(OCOC(=O)C=C)c(F)c3)c(C(F)(F)F)c2C(F)(F)F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 16/20 0.35
AKR1C2 P52895 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
SCHEMBL14588373 0.89 ALDH1A1 (0.37) AKR1C3
SCHEMBL12110790 0.86 THRB (0.40) AKR1C3AKR1C2
SCHEMBL14088574 0.84 CA12 (0.34) AKR1C3
SCHEMBL13668006 0.84 LMNA (0.41)
SCHEMBL13664624 0.83 TDP1 (0.32)
SCHEMBL13664618 0.82 AKR1C3 (0.35) AKR1C3AKR1C2
SCHEMBL15582416 0.82 THRB (0.38) AKR1C3
SCHEMBL14088575 0.82 PPARG (0.34) AKR1C3AKR1C2
SCHEMBL14185457 0.81 THRB (0.39) AKR1C3AKR1C2
SCHEMBL12567643 0.80 THRB (0.39) AKR1C3AKR1C2

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
US-7597945-B2 Optical compensation film; mixture of three (meth)acrylate monomers: e.g. 2,7-bis(acryloyloxyhexyloxy-1,4-phenylenecarbonyloxy)fluorene, a bis 2-fluoroacrylate monomer, and a cyanobiphenyloxyalkanol ester of (meth)acrylic acid; hardness, heat resistance, weatherability, colorless, LC physical properties CHISSO CORPORATION (JP) 2009-10-06 US disclosed
US-7597945-B2 Optical compensation film; mixture of three (meth)acrylate monomers: e.g. 2,7-bis(acryloyloxyhexyloxy-1,4-phenylenecarbonyloxy)fluorene, a bis 2-fluoroacrylate monomer, and a cyanobiphenyloxyalkanol ester of (meth)acrylic acid; hardness, heat resistance, weatherability, colorless, LC physical properties CHISSO CORPORATION (JP) 2009-10-06 US disclosed