SCHEMBL258496

SCHEMBL258496

C=C(C)C(=O)OCCCOC(=O)CCP(=O)(O)CC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.42
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
DGKA P23743 1/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RY10 O00398 4/20 0.34
GPR34 Q9UPC5 2/20 0.34
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
HTR2C P28335 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 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
SCHEMBL13109397 0.97 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL258535 0.94 THRB (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL258614 0.90 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL258612 0.85 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL720774 0.83 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23064056 0.82 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13109395 0.82 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL719673 0.82 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL722552 0.82 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3446714 0.82 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT

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