SCHEMBL2696366

SCHEMBL2696366

C=C(C)C(=O)OCCOCCCCOC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.61
TSHR P16473 8/20 0.55
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
CES2 O00748 1/20 0.32
EPHX2 P34913 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 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
SCHEMBL11378671 0.96 THRB (0.61) THRBTSHRHTTPOLBAPEX1
SCHEMBL8850574 0.94 TSHR (0.61) THRBTSHRHTTPOLBAPEX1
SCHEMBL8850412 0.94 TSHR (0.61) THRBTSHRHTTPOLBAPEX1
SCHEMBL8851557 0.94 TSHR (0.61) THRBTSHRHTTPOLBAPEX1
SCHEMBL12332609 0.94 TSHR (0.61) THRBTSHRHTTPOLBAPEX1
SCHEMBL24591471 0.93 THRB (0.56) THRBTSHRHTTPOLBAPEX1
SCHEMBL2121560 0.93 TSHR (0.59) THRBTSHRHTTPOLBAPEX1
SCHEMBL1991763 0.92 THRB (0.70) THRBTSHRHTTPOLBAPEX1
SCHEMBL9099174 0.91 TSHR (0.62) THRBTSHRHTTPOLBAPEX1
SCHEMBL9100009 0.91 TSHR (0.62) THRBTSHRHTTPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5316704-A Deformed into elongation configuration; surgery insertion KABI PHARMACIA OPHTHALMICS INC. (US) 1994-05-31 US claimed
US-8676319-B2 Implantable medical device with compressible fixation member MEDTRONIC, INC. (US) 2014-03-18 US disclosed
US-20120109272-A1 IMPLANTABLE MEDICAL DEVICE WITH COMPRESSIBLE FIXATION MEMBER MEDTRONIC, INC. (US) 2012-05-03 US disclosed
US-5480950-A CROSSLINKED POLYMER OF N-VINYLPYRROLIDONE, 4-VINYLPYRIMIDINE AND VINYLPYRIDINE WITH DIACRYLATES KABI PHARMACIA OPHTHALMICS, INC. (US) 1996-01-02 US disclosed
EP-0621824-A4 HIGH REFRACTIVE INDEX HYDROGELS AND USES THEREOF. KABI PHARMACIA OPTHALMICS INC (US) 1995-03-22 EP disclosed
EP-0621824-A1 HIGH REFRACTIVE INDEX HYDROGELS AND USES THEREOF KABI PHARMACIA OPTHALMICS, INC. (US) 1994-11-02 EP disclosed
US-5316704-A Deformed into elongation configuration; surgery insertion KABI PHARMACIA OPHTHALMICS INC. (US) 1994-05-31 US disclosed
WO-1994007686-A1 HIGH REFRACTIVE INDEX HYDROGELS AND USES THEREOF KABI PHARMACIA OPHTHALMICS, INC. (US) 1994-04-14 WO disclosed