SCHEMBL28833180

SCHEMBL28833180

FC(F)(F)COCC1CO1.OCC(O)COOCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL28833181 0.92 TSHR (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL28011877 0.85 TSHR (0.42) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL27641726 0.82 TSHR (0.35) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL18290484 0.80 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2547812 0.80 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL16854634 0.80 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL40586 0.78 TSHR (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL28119256 0.78 TSHR (0.59) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL16134389 0.77 TSHR (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2
Methane SCHEMBL28850574 0.77 TSHR (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2

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-103547629-B Static dissipative polycarbonate compositions 路博润高级材料公司 2016-09-07 CN disclosed