SCHEMBL258578

SCHEMBL258578

C=C(C)C(=O)OC(C)COC(=O)CCP(C)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ENPP2 Q13822 9/20 0.32
LPAR3 Q9UBY5 4/20 0.32
LPAR1 Q92633 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
LPAR6 P43657 1/20 0.31
LPAR4 Q99677 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL258554 0.86 TSHR (0.41) TSHRENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL3914438 0.85 TSHR (0.55) TSHRALDH1A1
SCHEMBL28061998 0.82 TSHR (0.52) TSHRALDH1A1
SCHEMBL7759192 0.82 TSHR (0.52) TSHRALDH1A1
SCHEMBL13109375 0.81 TSHR (0.45) TSHRENPP2LPAR3LPAR1TRPV1
SCHEMBL258599 0.80 ALDH1A1 (0.44) TSHRLPAR1SMN1; SMN2ALDH1A1
SCHEMBL7760377 0.80 TSHR (0.57) TSHRALDH1A1
SCHEMBL195298 0.79 TSHR (0.49) TSHRALDH1A1
SCHEMBL258576 0.77 THRB (0.47) TSHRSMN1; SMN2ALDH1A1
SCHEMBL4067170 0.77 TSHR (0.53) TSHRALDH1A1

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