SCHEMBL5375369

SCHEMBL5375369

CCCCS(=O)(=O)O.CCN(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
EPHX2 P34913 1/20 0.40
LMNA P02545 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 2/20 0.38
S1PR2 O95136 2/20 0.38
S1PR1 P21453 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR4 O95977 1/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
Fluoride SCHEMBL27808361 0.98 APP (0.41) APPEPHX2LMNAHPGDHSD17B10
Fluoride SCHEMBL27683312 0.98 APP (0.41) APPEPHX2LMNAHPGDHSD17B10
SCHEMBL26105373 0.91 EPHX2 (0.49) APPEPHX2S1PR2S1PR1FAAH
SCHEMBL27995594 0.91 EPHX2 (0.49) APPEPHX2S1PR2S1PR1FAAH
SCHEMBL27998269 0.91 EPHX2 (0.49) APPEPHX2S1PR2S1PR1FAAH
Eprodisate SCHEMBL23795566 0.90 APP (0.46) APPEPHX2LMNAHPGDHSD17B10
SCHEMBL5015 0.87
SCHEMBL31512497 0.87
SCHEMBL10012319 0.87
N,N-Dimethylethanaminium SCHEMBL27627432 0.86 APP (0.42) APPEPHX2LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178315-A Method for efficiently converting chitosan into 5-hydroxymethylfurfural by using sulfonated ionic liquid 集美大学 2023-05-30 CN claimed
WO-2020238188-A1 PROCESS FOR SYNTHESIZING ANTIOXIDANT 3114 江苏极易新材料有限公司 2020-12-03 WO claimed
WO-2020238188-A1 PROCESS FOR SYNTHESIZING ANTIOXIDANT 3114 江苏极易新材料有限公司 2020-12-03 WO disclosed
CN-108017610-B Preparation method of vitamin E 浙江新和成药业有限公司 2020-11-06 CN disclosed
CN-108693713-A Resist lower layer membrane material, pattern forming method and resist lower membrane forming method 信越化学工业株式会社 2018-10-23 CN disclosed
CN-108693705-A Resist lower layer membrane material, pattern forming method and resist lower membrane forming method 信越化学工业株式会社 2018-10-23 CN disclosed
US-7163778-B2 Anti-reflection film material and a substrate having an anti-reflection film and a method for forming a pattern SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-01-16 US disclosed
US-20040191479-A1 Anti-reflection film material and a substrate having an anti-reflection film and a method for forming a pattern SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-09-30 US disclosed