SCHEMBL13198515

SCHEMBL13198515

C=CC(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9873897 0.88 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL560589 0.88 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL7920243 0.88 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL7920244 0.88 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL7906773 0.87 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL30424942 0.80 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL633255 0.80 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL9872589 0.80 HPGD (0.32) TSHRHPGDTHRB
SCHEMBL31127917 0.79 TSHR (0.46) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2523004 0.79 TSHR (0.46) TSHRHPGDTHRBALDH1A1TP53

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
EP-2221592-A1 Multifunctional optical sensor Stichting Dutch Polymer Institute (NL) 2010-08-25 EP disclosed
EP-2218577-A1 Adaptive thermal insulation material Stichting Dutch Polymer Institute (NL) 2010-08-18 EP disclosed