SCHEMBL4942932

SCHEMBL4942932

O=C(O)CC(C(=O)O)=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CA2 P00918 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
SCHEMBL10886709 0.93 THRB (0.34) THRBFNTAFNTB
SCHEMBL6053879 0.85 FNTA (0.34) FNTAFNTB
SCHEMBL10656366 0.83 THRB (0.38) THRBFNTAFNTB
SCHEMBL2527429 0.83 THRB (0.38) THRBFNTAFNTB
SCHEMBL3972790 0.81 THRB (0.35) THRBFNTAFNTB
SCHEMBL6130468 0.81 THRB (0.44) THRBCA2
SCHEMBL10661692 0.79 KDM4E (0.30)
SCHEMBL2405464 0.77 FNTA (0.36) FNTAFNTB
SCHEMBL3858790 0.76 THRB (0.48) THRBCA2
SCHEMBL8618188 0.76 THRB (0.48) THRBCA2

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-7344731-B2 Rigid gas permeable lens material BAUSCH & LOMB INCORPORATED (US) 2008-03-18 US disclosed
US-20060276605-A1 Rigid gas permeable lens material BAUSCH & LOMB INCORPORATED 2006-12-07 US disclosed
US-4743667-A ACRYLATED SILOXXANES, OXYGEN PERMEABLE NIPPON CONTACT LENS, INC. (JP) 1988-05-10 US disclosed
US-4602074-A SILICON CONTAINING ACRYLIC MONOMER NIPPON CONTACT LENS MANUFACTURING LTD. (JP) 1986-07-22 US disclosed