SCHEMBL258495

SCHEMBL258495

C=C(C)C(=O)OCCCOP(C)(=O)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL258552 0.91 THRB (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL258655 0.87 THRB (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL258613 0.83 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3681594 0.81 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13109394 0.80 TSHR (0.36) TSHRTHRBPOLBAPEX1HTT
Phosphoric Acid SCHEMBL17294810 0.78 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17676125 0.78 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL258572 0.78 POLB (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL40925 0.77 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13109379 0.77 TSHR (0.42) TSHRTHRBALDH1A1

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