SCHEMBL258608

SCHEMBL258608

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
ALDH1A1 P00352 5/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.42
CYP3A4 P08684 2/20 0.42
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL13498163 0.91 TSHR (0.51) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL258551 0.82 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13109364 0.80 TSHR (0.42) TSHRHPGD
SCHEMBL29023701 0.78 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2403438 0.77 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL19138875 0.76 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13498165 0.75 PKM (0.36) TSHRALDH1A1SMN1; SMN2
SCHEMBL6429759 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL40904 0.74 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20988013 0.73 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10

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