SCHEMBL9067398

SCHEMBL9067398

C=C(C)C(=O)OCC(C)OOP(=O)(OOC(C)COC(=O)C(=C)C)OOC(C)COC(=O)C(=C)C

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.37

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
SCHEMBL730198 0.84 TSHR (0.68) TSHRALDH1A1THRB
SCHEMBL10907135 0.82 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL4331907 0.77 TSHR (0.76) TSHRALDH1A1THRB
SCHEMBL401685 0.77 TSHR (0.63) TSHRALDH1A1THRB
SCHEMBL19680511 0.77 TSHR (0.63) TSHRALDH1A1THRB
SCHEMBL24562 0.77 TSHR (1.00) TSHRALDH1A1THRB
SCHEMBL13078882 0.76 TSHR (0.61) TSHRALDH1A1THRB
SCHEMBL12056757 0.76 TSHR (0.61) TSHRALDH1A1THRB
SCHEMBL1336820 0.76 TSHR (0.73) TSHRALDH1A1THRB
SCHEMBL160208 0.76 TSHR (0.73) TSHRALDH1A1THRB

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