SCHEMBL8650562

SCHEMBL8650562

CC(=O)OC(C)=O.CC(=O)OC(C)=O.O=C(OC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL8650561 1.00 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL53 0.92 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL27857212 0.89 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
Chloromethane SCHEMBL28080032 0.89 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
Water SCHEMBL28182624 0.89 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL28150408 0.89 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL28138601 0.89 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
Methyl Alcohol SCHEMBL27921533 0.89 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
Hydrogen Peroxide SCHEMBL28819174 0.89 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
Ammonia Solution, Strong SCHEMBL28095870 0.89 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627655-B Synthetic method of 2-bromo-5-fluoro-4-nitroaniline and intermediate thereof 苏州旺山旺水生物医药有限公司 2022-09-20 CN disclosed
CN-110627655-A Synthetic method and intermediate of 2-bromo-5-fluoro-4-nitroaniline 苏州旺山旺水生物医药有限公司 2019-12-31 CN disclosed
US-5817786-A Single-stranded labelled oligonucleotides of preselected sequences MOLECULAR BIOSYSTEMS, INC. (US) 1998-10-06 US disclosed
US-5668266-A Synthesis of single-stranded labelled oligonucleotides of preselected sequence SYNGENE, INC. (US) 1997-09-16 US disclosed
US-5541313-A Single-stranded labelled oligonucleotides of preselected sequence MOLECULAR BIOSYSTEMS, INC. (US) 1996-07-30 US disclosed
US-4948882-A Single-stranded labelled oligonucleotides, reactive monomers and methods of synthesis SYNGENE, INC. (US) 1990-08-14 US disclosed
EP-0047323-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-03-17 EP disclosed