SCHEMBL9067401

SCHEMBL9067401

C=C(C)C(=O)OCCCOOP(=O)(OOCCCOC(=O)C(=C)C)OOCCCOC(=O)C(=C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 1/20 0.47
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41

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
SCHEMBL9067980 0.96 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9067403 0.89 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3183707 0.89 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28578255 0.88 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9067981 0.86 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28354354 0.84 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
Phosphoric Acid SCHEMBL3464242 0.84 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL182045 0.84 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL40925 0.83 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9162964 0.82 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537972-B1 Treating solution for contact lenses NOF CORP (JP) 1996-07-10 EP claimed