SCHEMBL28041250

SCHEMBL28041250

C=C(C)C(=O)OC(=CC)C(O)CO

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.35
OR51E2 Q9H255 1/20 0.32
THRB P10828 1/20 0.32
TGFBR1 P36897 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
SCHEMBL27119 0.79 TSHR (0.45) TSHRALDH1A1OR51E2THRBTGFBR1
SCHEMBL28897389 0.79 TSHR (0.41) TSHRALDH1A1OR51E2THRBTGFBR1
SCHEMBL3389778 0.76 TSHR (0.38) TSHRALDH1A1OR51E2THRBTGFBR1
E968 SCHEMBL7528113 0.74 TSHR (0.37) TSHRALDH1A1THRBTGFBR1
SCHEMBL28827256 0.74 TSHR (0.37) TSHRALDH1A1OR51E2THRBTGFBR1
SCHEMBL7159915 0.73 ALDH1A1 (0.54) TSHRALDH1A1OR51E2THRBTGFBR1
SCHEMBL10033428 0.70 TSHR (0.34) TSHRALDH1A1
Propylene Glycol SCHEMBL16752113 0.69 TSHR (0.40) TSHRALDH1A1THRBTGFBR1
Glycerin SCHEMBL6982256 0.69 TSHR (0.36) TSHRALDH1A1THRBTGFBR1
SCHEMBL4275762 0.69 TSHR (0.36) TSHRALDH1A1THRBTGFBR1

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
CN-105103349-A Binder composition for electricity storage devices JSR CORP 2015-11-25 CN disclosed