SCHEMBL258614

SCHEMBL258614

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
TSHR P16473 5/20 0.41
ALDH1A1 P00352 2/20 0.33
DGKA P23743 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL258535 0.96 THRB (0.49) THRBTSHRALDH1A1DGKAPOLB
SCHEMBL13109397 0.90 TSHR (0.53) THRBTSHRALDH1A1DGKAPOLB
SCHEMBL258496 0.90 TSHR (0.49) THRBTSHRALDH1A1DGKAPOLB
SCHEMBL258498 0.85 THRB (0.51) THRBTSHRALDH1A1DGKAPOLB
SCHEMBL28959481 0.81 THRB (0.66) THRBTSHRALDH1A1DGKAPOLB
SCHEMBL258576 0.80 THRB (0.47) THRBTSHRALDH1A1DGKAPOLB
SCHEMBL8492855 0.80 THRB (0.65) THRBTSHRALDH1A1DGKAPOLB
SCHEMBL5072271 0.80 THRB (0.63) THRBTSHRALDH1A1DGKAPOLB
Phosphoric Acid SCHEMBL867302 0.79 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13109377 0.79 LPAR1 (0.44) TSHR

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 3 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
US-20070225414-A1 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT INTERNATIONAL LTD 2007-09-27 US disclosed