SCHEMBL6667474

SCHEMBL6667474

O=C([O-])c1ccc(S(=O)(=O)O)cc1C(=O)[O-].O=C([O-])c1ccc(S(=O)(=O)O)cc1C(=O)[O-].O=C([O-])c1ccc(S(=O)(=O)O)cc1C(=O)[O-].[Al+3].[Al+3]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 1/20 0.41
TSHR P16473 3/20 0.40
NT5E P21589 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
S1PR3 Q99500 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CASP6 P55212 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 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
Lithium Ion SCHEMBL11622651 0.96 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLMNA
Potassium Ion SCHEMBL574221 0.96 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL11630568 0.96 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL11627979 0.96 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL11627898 0.96 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL2928492 0.96 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL6667238 0.96 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL11629572 0.96 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL11628566 0.96 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLMNA
Bicarbonate SCHEMBL10806531 0.92 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098775-B1 INKJET RECEPTOR MEDIA COMPRISING METALLIC SALTS MINNESOTA MINING & MFG (US) 2004-09-15 EP disclosed
US-6703112-B1 COMPLEXATION OF MULTIVALENT METAL CATION WITH THE CHEMICALLY RELEASED ORGANIC ACID ANIONS AND MIGRATION INHIBITOR 3M INNOVATIVE PROPERTIES COMPANY 2004-03-09 US disclosed
EP-1098775-A1 INKJET RECEPTOR MEDIA COMPRISING METALLIC SALTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-05-16 EP disclosed
WO-1999065703-A1 INKJET RECEPTOR MEDIA COMPRISING METALLIC SALTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-12-23 WO disclosed