SCHEMBL28833181

SCHEMBL28833181

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL28833180 0.92 TSHR (0.42) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL27870592 0.85 TSHR (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL40586 0.83 TSHR (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL16134389 0.81 TSHR (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
Methane SCHEMBL28850574 0.81 TSHR (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL16854634 0.81 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL18290484 0.81 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL2547812 0.81 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL28119256 0.79 TSHR (0.59) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
Propane SCHEMBL8922359 0.78 ALDH1A1 (0.47) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1

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