SCHEMBL11475397

SCHEMBL11475397

C=C(C)C(=O)OCC(COC(=O)C(=C)C)OP(=O)(O)F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
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
SCHEMBL10606880 0.92 TSHR (0.47) TSHRALDH1A1THRB
SCHEMBL134372 0.86 TSHR (0.55) TSHRALDH1A1THRB
SCHEMBL2638629 0.86 TSHR (0.55) TSHRALDH1A1THRB
SCHEMBL11475399 0.81 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL14368416 0.80 TSHR (0.49) TSHRALDH1A1THRB
SCHEMBL7893971 0.80 TSHR (0.49) TSHRALDH1A1THRB
SCHEMBL2916918 0.78 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL11659922 0.78 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL2867414 0.78 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL5175016 0.77 TSHR (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4182035-A Adhesive compositions for the hard tissues of the human body KURARAY COMPANY LIMITED (JP) 1980-01-08 US disclosed
US-3997504-A Composition and method for treating teeth PLYMALE RICHARD W 1976-12-14 US disclosed