SCHEMBL258576

SCHEMBL258576

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
DGKA P23743 1/20 0.34
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
BTN3A1 O00481 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL258498 0.95 THRB (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258612 0.94 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13109395 0.94 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19291628 0.84 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258535 0.84 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL720774 0.82 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16744077 0.82 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL124287 0.82 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13109375 0.81 TSHR (0.45) TSHR
SCHEMBL23064056 0.81 TSHR (0.56) 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