SCHEMBL6354928

SCHEMBL6354928

C=C(C)OC(=O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
HSD17B10 Q99714 2/20 0.44
SOAT1 P35610 1/20 0.42
ALDH1A1 P00352 9/20 0.41
TSHR P16473 6/20 0.39
HCAR2 Q8TDS4 1/20 0.38
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.35
NAAA Q02083 1/20 0.34
GLO1 Q04760 1/20 0.34
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL11653063 0.84 TSHR (0.61) ALDH1A1TSHRHCAR2LMNANAAA
SCHEMBL35210239 0.84 TSHR (0.61) ALDH1A1TSHRHCAR2LMNANAAA
SCHEMBL35210202 0.84 TSHR (0.61) ALDH1A1TSHRHCAR2LMNANAAA
SCHEMBL28608613 0.84 TSHR (0.61) ALDH1A1TSHRHCAR2LMNANAAA
SCHEMBL2497149 0.83 SOAT1 (0.60) TDP1HSD17B10SOAT1ALDH1A1TSHR
SCHEMBL27974135 0.83 TSHR (0.50) TDP1HSD17B10SOAT1ALDH1A1TSHR
SCHEMBL6141329 0.81
SCHEMBL7410241 0.81 ALDH1A1 (0.46) TDP1HSD17B10SOAT1ALDH1A1TSHR
SCHEMBL6348686 0.81 THRB (0.60) TDP1HSD17B10SOAT1ALDH1A1TSHR
Propane SCHEMBL11376289 0.79 SOAT1 (0.64) TDP1HSD17B10SOAT1ALDH1A1TSHR

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
WO-2007004743-A1 COPOLYMER AND POLYMERIZABLE COMPOSITION FUJIFILM CORPORATION (JP) 2007-01-11 WO disclosed
US-6974658-B2 HIGH MOLECULAR COMPOUND, MONOMER COMPOUNDS AND PHOTOSENSITIVE COMPOSITION FOR PHOTORESIST, PATTERN FORMING METHOD UTILIZING PHOTOSENSITIVE COMPOSITION, AND METHOD OF MANUFACTURING ELECTRONIC COMPONENTS KABUSHIKI KAISHA TOSHIBA (JP) 2005-12-13 US disclosed
US-20030235781-A1 High molecular compound, monomer compounds and photosensitive composition for photoresist, pattern forming method utilizing photosensitive composition, and method of manufacturing electronic components KABUSHIKI KAISHA TOSHIBA (JP) 2003-12-25 US disclosed