SCHEMBL28042471

SCHEMBL28042471

O=C(O)C(F)C(C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ABCB11 O95342 1/20 0.32
F2 P00734 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL2069150 0.81 ALDH1A1 (0.40) ALDH1A1LMNATSHRTHRBRECQL
Fluoride SCHEMBL19466427 0.77 ALDH1A1 (0.38) ALDH1A1LMNATSHRTHRBRECQL
SCHEMBL377875 0.74
SCHEMBL28427549 0.74 ALDH1A1 (0.44) ALDH1A1LMNATSHRTHRBRECQL
SCHEMBL1271509 0.74 ALDH1A1 (0.35) ALDH1A1LMNATSHRTHRBRECQL
SCHEMBL28788868 0.71 ALDH1A1 (0.33) ALDH1A1LMNATSHRTHRBRECQL
SCHEMBL26107380 0.71
Fluoride SCHEMBL29178590 0.71
SCHEMBL26660986 0.71 ALDH1A1 (0.46) ALDH1A1LMNATSHRTHRBRECQL
SCHEMBL29255 0.71 ALDH1A1 (0.46) ALDH1A1LMNATSHRTHRBRECQL

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-105104381-B Glycoconjugate preparation and its application in crop salt stress-resistant 河南省农业科学院植物营养与资源环境研究所 2017-06-13 CN claimed
CN-105646081-A Liquid compound fertilizer as well as preparation method and application thereof 河南省农业科学院植物营养与资源环境研究所 2016-06-08 CN claimed
CN-105104381-A Complex sugar preparation, and application in crop resistant to salt stress thereof INST PLANT NUTITUION & RESOURCE ENVIRONMENT HENAN ACADEMY AGRICULTURAL SCIENCES 2015-12-02 CN claimed
CN-105130593-B Sodium alginate oligosaccharide compound and its application in alleviation crop copper toxicity 河南省农业科学院植物营养与资源环境研究所 2019-03-29 CN disclosed
CN-105104381-B Glycoconjugate preparation and its application in crop salt stress-resistant 河南省农业科学院植物营养与资源环境研究所 2017-06-13 CN disclosed
CN-105646081-A Liquid compound fertilizer as well as preparation method and application thereof 河南省农业科学院植物营养与资源环境研究所 2016-06-08 CN disclosed
CN-105104381-A Complex sugar preparation, and application in crop resistant to salt stress thereof INST PLANT NUTITUION & RESOURCE ENVIRONMENT HENAN ACADEMY AGRICULTURAL SCIENCES 2015-12-02 CN disclosed