SCHEMBL3685235

SCHEMBL3685235

C=C(C)C(=O)OCC(CO)(CO)OC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10477043 0.86 ALDH1A1 (0.44) TSHRTHRBALDH1A1TDP1
SCHEMBL8630149 0.81 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL165954 0.81 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL7638142 0.79 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL1963686 0.78 ALDH1A1 (0.38) TSHRTHRBALDH1A1
SCHEMBL60306 0.78 ALDH1A1 (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1030890 0.78 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL942089 0.78 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL33308 0.78 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15234 0.78 TSHR (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329065-B2 Carbon nanotube-containing composition, composite, and methods for producing them MITSUBISHI RAYON CO., LTD. (JP) 2012-12-11 US disclosed
US-20100065788-A1 CARBON NANOTUBE-CONTAINING COMPOSITION, COMPOSITE, AND METHODS FOR PRODUCING THEM MITSUBISHI RAYON CO., LTD. (JP) 2010-03-18 US disclosed