SCHEMBL258615

SCHEMBL258615

C=C(C)C(=O)OCCOCCOP(=O)(CC)CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL258609 0.96 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258613 0.88 TSHR (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258655 0.83 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8975865 0.82 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13109396 0.80 THRB (0.36) THRBTSHR
SCHEMBL258552 0.79 THRB (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2019232 0.77 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14341000 0.77 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13109376 0.77 TSHR (0.41) THRBTSHRALDH1A1
SCHEMBL258565 0.76 THRB (0.41) 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