SCHEMBL3673667

SCHEMBL3673667

C=C(C)C(=O)OCC(C[O])OCCO

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL26980192 0.81 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28969506 0.79 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1517252 0.79 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10613522 0.77 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7771266 0.76 LPAR6 (0.31)
SCHEMBL23882527 0.75 TSHR (0.49) TSHRTHRB
SCHEMBL8067583 0.75 TSHR (0.49) TSHRTHRBALDH1A1TDP1
SCHEMBL6751821 0.75 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL536923 0.75 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3673665 0.75

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
EP-1890171-B1 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE (US) 2010-12-22 EP claimed
EP-1890171-A2 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents Johnson & Johnson Vision Care, Inc. (US) 2008-02-20 EP claimed