SCHEMBL9324575

SCHEMBL9324575

C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.C[S+](C)c1ccccc1O.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CA4 P22748 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
GMNN O75496 1/20 0.33
EGFR P00533 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33
CA3 P07451 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL5827979 0.83 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EHPGDCA4
Hydrochloric Acid SCHEMBL3295090 0.81 ALDH1A1 (0.45) ALDH1A1TDP1KDM4EHPGDCA4
SCHEMBL10434904 0.74 HSD11B1 (0.36) ALDH1A1TDP1KDM4EHPGDCA4
SCHEMBL8520822 0.70 ALDH1A1 (0.52) ALDH1A1TDP1KDM4EHPGDCA4
SCHEMBL2665742 0.70 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EHPGDCA4
Hydrochloric Acid SCHEMBL8853511 0.69 ALDH1A1 (0.50) ALDH1A1TDP1KDM4EHPGDCA4
SCHEMBL9336595 0.68 ENPP2 (0.35) ALDH1A1TDP1KDM4EHPGDCA4
Trifluoromethanesulfonic Acid SCHEMBL8853674 0.68 KCNH2 (0.38) ALDH1A1TDP1HPGDEGFRCA2
SCHEMBL29646229 0.65 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EHPGDCA4
SCHEMBL18337 0.65 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EHPGDCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410263-B1 Cationic photoinitiated polymerisation process and the preparation of relief motifs or photoimages using sulfonium salts BASF AG (DE) 1994-02-16 EP disclosed
EP-0410263-A1 Cationic photoinitiated polymerisation process and the preparation of relief motifs or photoimages using sulfonium salts BASF Aktiengesellschaft (DE) 1991-01-30 EP disclosed