SCHEMBL258613

SCHEMBL258613

C=C(C)C(=O)OCCCOP(=O)(CC)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.41
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.33
P2RY10 O00398 4/20 0.30
GPR34 Q9UPC5 2/20 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
SCHEMBL258609 0.92 THRB (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL258615 0.88 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL258495 0.83 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3681594 0.82 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13109396 0.81 THRB (0.36) TSHRTHRB
SCHEMBL2173357 0.79 CYP3A4 (0.45) TSHRTDP1ALDH1A1
SCHEMBL13109376 0.78 TSHR (0.41) TSHRTHRBALDH1A1P2RY10GPR34
SCHEMBL8975865 0.77 THRB (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL720282 0.77 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13109390 0.76 THRB (0.31) TSHRTHRBALDH1A1

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