SCHEMBL712304

SCHEMBL712304

CC(=O)OCC(OC(C)=O)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
AR P10275 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
TBXA2R P21731 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
GALR3 O60755 1/20 0.32
BLM P54132 1/20 0.32
PGR P06401 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
SCHEMBL29104740 0.82 TDP1 (0.52) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL31469524 0.80 TDP1 (0.50) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL440977 0.80 TDP1 (0.50) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL13967844 0.78 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL6225790 0.78 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL7276080 0.78 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL1020469 0.78 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL425735 0.78 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL5200741 0.77 TSHR (0.40) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL9439802 0.77 ALDH1A1 (0.52) TDP1TSHRALDH1A1LMNAHSD17B10

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619744-A4 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS. MALLINCKRODT MEDICAL INC (US) 1995-02-08 EP claimed
EP-0619744-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1994-10-19 EP claimed
WO-1994005337-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1994-03-17 WO claimed
WO-1993010825-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1993-06-10 WO claimed
US-5191120-A Process for preparing nonionic X-ray contrast agents MALLINCKRODT MEDICAL, INC. (US) 1993-03-02 US claimed
EP-0504266-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT, INC. (US) 1992-09-23 EP claimed
WO-1991009007-A2 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT, INC. (US) 1991-06-27 WO claimed
CN-103113367-A Preparation method of full-aromaticity beta-carboline compound UNIV SHIJIAZHUANG 2013-05-22 CN disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP disclosed
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP disclosed
WO-2008123779-A1 TRISUBSTITUTED TRIAZAMACROCYCLI C COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-16 WO disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 WO disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 WO disclosed
US-5356613-A X-ray contrast agents, compositions and methods MALLINCKRODT MEDICAL, INC. (US) 1994-10-18 US disclosed
EP-0558484-A1 NOVEL X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1993-09-08 EP disclosed
WO-1992009562-A1 NOVEL X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1992-06-11 WO disclosed
US-4001323-A RADIOPAQUE MATERIALS SAVAC AG (CH) 1977-01-04 US disclosed