SCHEMBL7198625

SCHEMBL7198625

C=C(C)C(=O)OCCC=C(C)C(=O)OCCCCCCCC

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.73
THRB P10828 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NAAA Q02083 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HCAR2 Q8TDS4 2/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 2/20 0.40
EPHX1 P07099 1/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL11424882 1.00 TSHR (0.73) TSHRTHRBHTTPOLBAPEX1
SCHEMBL11329589 1.00 TSHR (0.73) TSHRTHRBHTTPOLBAPEX1
SCHEMBL1004834 0.94 TSHR (0.62) TSHRTHRBHTTPOLBAPEX1
SCHEMBL4410571 0.91 TSHR (0.68) TSHRTHRBHTTPOLBAPEX1
SCHEMBL10870250 0.90 TSHR (0.67) TSHRTHRBHTTPOLBAPEX1
SCHEMBL7997075 0.89 TSHR (0.65) TSHRTHRBHTTPOLBAPEX1
Methacrylic Acid SCHEMBL11267070 0.87 TSHR (0.61) TSHRHTTPOLBAPEX1TDP1
Methacrylic Acid SCHEMBL11249803 0.87 TSHR (0.61) TSHRHTTPOLBAPEX1TDP1
SCHEMBL3807932 0.86 TSHR (0.59) TSHRTHRBHTTPOLBAPEX1
SCHEMBL8752883 0.85 TSHR (0.58) TSHRHTTNAAAHCAR2RAD52

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-6596458-B1 Used in an ultramicrolithography process or another photofabrication process for the production of very large scale integrated circuits or high capacity microchips FUJI PHOTO FILM CO., LTD. (JP) 2003-07-22 US disclosed
EP-1091248-A1 Postive-working resist composition FUJI PHOTO FILM CO., LTD. (JP) 2001-04-11 EP disclosed