SCHEMBL5057246

SCHEMBL5057246

C=C(C)C(=O)OCCC(C)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX15 P16050 1/20 0.31
CHRNB2 P17787 2/20 0.30
CHRNA4 P43681 2/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 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
SCHEMBL5053937 0.88 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11177266 0.83 TSHR (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8602798 0.82 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5052500 0.81 TSHR (0.62) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1264172 0.81 FOLH1 (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL41669 0.79 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL496658 0.79 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
Phosphoric Acid SCHEMBL836840 0.78 THRB (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5050848 0.78 TSHR (0.49) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3048625 0.77 THRB (0.49) TSHRTHRBALDH1A1POLBAPEX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101001912-B Nanosubstance-containing composition, method for producing same, and composite using same MITSUBISHI RAYON CO 2010-11-17 CN disclosed
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed
CN-101001912-A Nanosubstance-containing composition, method for producing same, and composite using same MITSUBISHI RAYON CO (JP) 2007-07-18 CN disclosed