SCHEMBL28487296

SCHEMBL28487296

Oc1ccc(S)c(-c2ccc(O)c(O)c2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
ESR1 P03372 1/20 0.39
MAOA P21397 1/20 0.39
UGT1A1 P22309 1/20 0.39
MAOB P27338 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
RUNX1 Q01196 2/20 0.38
CBFB Q13951 2/20 0.38
GYS1 P13807 2/20 0.37
ALOX5 P09917 1/20 0.36
GFER P55789 1/20 0.35
NPC1 O15118 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL29861377 0.81 ALOX5 (0.48) TTRESR1MAOAUGT1A1MAOB
SCHEMBL16196432 0.81 ALOX5 (0.48) TTRESR1MAOAUGT1A1MAOB
SCHEMBL756876 0.76 TTR (0.44) TTRESR1MAOAUGT1A1MAOB
SCHEMBL29737462 0.75 ALDH1A1 (0.44) TTRMAOAALDH1A1MAPTHPGD
SCHEMBL1883019 0.75 ALDH1A1 (0.44) TTRMAOAALDH1A1MAPTHPGD
SCHEMBL29006478 0.73 ESR1 (0.57) TTRESR1ESR2
SCHEMBL29623219 0.73 ESR2 (0.57) TTRESR1ESR2ALDH1A1MAPT
SCHEMBL16196612 0.73 ESR2 (0.57) TTRESR1ESR2ALDH1A1MAPT
SCHEMBL28902201 0.72 ALOX5 (0.54) ESR1ESR2MAPTALOX5
SCHEMBL31388626 0.70 PIM1 (0.40) ALDH1A1HPGDCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978228-B Monomolecular resin acid generator based on sulfonium salt and photoresist composition thereof 中国科学院理化技术研究所 2021-10-12 CN disclosed
CN-111978224-A Sulfur-containing monomolecular resin and photoresist composition thereof 中国科学院理化技术研究所 2020-11-24 CN disclosed
CN-111978228-A Monomolecular resin acid generator based on sulfonium salt and photoresist composition thereof 中国科学院理化技术研究所 2020-11-24 CN disclosed