SCHEMBL2744512

SCHEMBL2744512

C=C(C)C(=O)OCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
THRB P10828 1/20 0.49
SLC22A1 O15245 2/20 0.45
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 3/20 0.43
SLC22A2 O15244 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DNM1 Q05193 2/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9278057 1.00 TSHR (0.71) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL29107070 0.98 TSHR (0.69) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL29107033 0.98 TSHR (0.69) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL26571676 0.98 TSHR (0.69) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL29107018 0.98 TSHR (0.69) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL29106996 0.98 TSHR (0.69) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL29106988 0.98 TSHR (0.69) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL2744210 0.95 TSHR (0.65) TSHRTHRBSLC22A1ALDH1A1TP53
Hydrochloric Acid SCHEMBL28582384 0.95 TSHR (0.65) TSHRTHRBSLC22A1ALDH1A1TP53
Hydrochloric Acid SCHEMBL28573850 0.95 TSHR (0.65) TSHRTHRBSLC22A1ALDH1A1TP53

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-8178009-B2 Slurry for secondary battery electrode, electrode for secondary battery, process for production of electrode for secondary battery, and secondary battery SUMITOMO BAKELITE CO., LTD. (JP) 2012-05-15 US disclosed
US-20100075222-A1 SLURRY FOR SECONDARY BATTERY ELECTRODE, ELECTRODE FOR SECONDARY BATTERY, PROCESS FOR PRODUCTION OF ELECTRODE FOR SECONDARY BATTERY, AND SECONDARY BATTERY SUMITOMO BAKELITE CO., LTD. (JP) 2010-03-25 US disclosed