SCHEMBL258535

SCHEMBL258535

C=C(C)C(=O)OCCOC(=O)CCP(=O)(O)CC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
TSHR P16473 4/20 0.44
DGKA P23743 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 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
SCHEMBL258614 0.96 THRB (0.53) THRBTSHRDGKAALDH1A1POLB
SCHEMBL258496 0.94 TSHR (0.49) THRBTSHRDGKAALDH1A1POLB
SCHEMBL13109397 0.94 TSHR (0.53) THRBTSHRDGKAALDH1A1POLB
SCHEMBL258576 0.84 THRB (0.47) THRBTSHRDGKAALDH1A1POLB
SCHEMBL13109377 0.82 LPAR1 (0.44) TSHR
SCHEMBL13109383 0.80 THRB (0.33) THRBTSHRALDH1A1SMN1; SMN2
SCHEMBL258498 0.80 THRB (0.51) THRBTSHRDGKAALDH1A1POLB
SCHEMBL720774 0.79 TSHR (0.53) THRBTSHRDGKAALDH1A1POLB
SCHEMBL13109389 0.79 THRB (0.32) THRBTSHRALDH1A1POLB
SCHEMBL124287 0.79 THRB (0.61) THRBTSHRDGKAALDH1A1POLB

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