SCHEMBL2744210

SCHEMBL2744210

C=C(C)C(=O)OCC[N+](CC)(CC)CCCCCC

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
DNM1 Q05193 4/20 0.46
THRB P10828 1/20 0.45
ACHE P22303 3/20 0.43
SLC22A1 O15245 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11097565 1.00 TSHR (0.65) TSHRDNM1THRBACHESLC22A1
Hydrochloric Acid SCHEMBL28573850 1.00 TSHR (0.65) TSHRDNM1THRBACHESLC22A1
Hydrochloric Acid SCHEMBL28582384 1.00 TSHR (0.65) TSHRDNM1THRBACHESLC22A1
SCHEMBL9278057 0.95 TSHR (0.71) TSHRDNM1THRBACHESLC22A1
SCHEMBL2744512 0.95 TSHR (0.71) TSHRDNM1THRBACHESLC22A1
SCHEMBL10883937 0.94 TSHR (0.59) TSHRDNM1THRBACHESLC22A1
SCHEMBL29107070 0.94 TSHR (0.69) TSHRDNM1THRBACHESLC22A1
SCHEMBL29106996 0.94 TSHR (0.69) TSHRDNM1THRBACHESLC22A1
SCHEMBL29107018 0.94 TSHR (0.69) TSHRDNM1THRBACHESLC22A1
SCHEMBL29107033 0.94 TSHR (0.69) TSHRDNM1THRBACHESLC22A1

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