SCHEMBL258498

SCHEMBL258498

C=C(C)C(=O)OCCOCCOC(=O)CCP(C)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
TSHR P16473 6/20 0.39
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
DGKA P23743 1/20 0.32
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL258576 0.95 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13109395 0.89 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258612 0.89 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258614 0.85 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28959481 0.84 THRB (0.66) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5072271 0.82 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
Phosphoric Acid SCHEMBL867302 0.82 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL25822516 0.81 THRB (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27674984 0.80 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19291628 0.80 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1

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-8063123-B2 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-22 US disclosed
US-20070225414-A1 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT INTERNATIONAL LTD 2007-09-27 US disclosed