SCHEMBL258552

SCHEMBL258552

C=C(C)C(=O)OCCOP(C)(=O)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL258655 0.96 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258495 0.91 TSHR (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13109394 0.82 TSHR (0.36) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258609 0.82 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18215524 0.80 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13109379 0.80 TSHR (0.42) THRBTSHRALDH1A1
Succinic Acid SCHEMBL5426323 0.79 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258615 0.79 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258608 0.78 TSHR (0.46) THRBTSHRALDH1A1
SCHEMBL18212633 0.78 THRB (0.55) 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 4 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-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