SCHEMBL27889264

SCHEMBL27889264

CC(OC(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP1A2 P05177 2/20 0.54
TSHR P16473 2/20 0.51
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5583400 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRNPC1GAA
SCHEMBL29573208 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRNPC1GAA
SCHEMBL4361293 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRNPC1GAA
SCHEMBL12395566 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRNPC1GAA
SCHEMBL13347474 0.86 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRNPC1GAA
SCHEMBL5052181 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRNPC1GAA
SCHEMBL23072537 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRNPC1GAA
SCHEMBL5583434 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRNPC1GAA
SCHEMBL14503207 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRNPC1GAA
SCHEMBL5583390 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRNPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102898464-B Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2015-04-01 CN claimed
EP-4244373-A1 SPATIAL CONTROL OF POLYNUCLEOTIDE SYNTHESIS BY STRAND CAPPING Microsoft Technology Licensing, LLC (US) 2023-09-20 EP disclosed
WO-2022103499-A1 SPATIAL CONTROL OF POLYNUCLEOTIDE SYNTHESIS BY STRAND CAPPING MICROSOFT TECHNOLOGY LICENSING, LLC (US) 2022-05-19 WO disclosed
CN-102898464-B Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2015-04-01 CN disclosed
CN-102898464-A Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2013-01-30 CN disclosed