SCHEMBL9067905

SCHEMBL9067905

C=C(C)C(=O)OCOOP(=O)(OOCOC(=O)C(=C)C)OOCOC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.42
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9067908 0.88 TSHR (0.42) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL3183707 0.82 THRB (0.55) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL21051155 0.81 TSHR (0.47) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL148579 0.79 TSHR (0.58) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL9067401 0.79 TSHR (0.55) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL9067980 0.79 TSHR (0.59) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL9550525 0.78 TSHR (0.48) TSHRALDH1A1THRBPOLBAPEX1
Hydrochloric Acid SCHEMBL14976774 0.77 TSHR (0.56) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL10456515 0.77 THRB (0.53) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL3682160 0.76 TSHR (0.42) TSHRALDH1A1THRBPOLBAPEX1

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