SCHEMBL28037495

SCHEMBL28037495

O=S(=O)([O-])Oc1ccccc1.O=S(=O)([O-])Oc1ccccc1.O=S(=O)([O-])Oc1ccccc1.O=S(=O)([O-])Oc1ccccc1.[Ti+4]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.56
CA9 Q16790 4/20 0.56
CA1 P00915 3/20 0.56
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.45
PPARG P37231 1/20 0.45
NFE2L2 Q16236 1/20 0.45
PTGS2 P35354 1/20 0.44
F11 P03951 6/20 0.44
MEN1 O00255 1/20 0.44
SOS1 Q07889 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5683251 0.95 CA2 (0.56) CA2CA9CA1KMT2ALMNA
SCHEMBL3672101 0.95 CA2 (0.56) CA2CA9CA1KMT2ALMNA
Silver SCHEMBL31590866 0.95 CA2 (0.56) CA2CA9CA1KMT2ALMNA
SCHEMBL17456527 0.95 CA2 (0.56) CA2CA9CA1KMT2ALMNA
SCHEMBL8058038 0.95 CA2 (0.56) CA2CA9CA1KMT2ALMNA
Lithium Ion SCHEMBL812224 0.95 CA2 (0.56) CA2CA9CA1KMT2ALMNA
SCHEMBL8741911 0.95 CA2 (0.56) CA2CA9CA1KMT2ALMNA
Potassium Ion SCHEMBL10359278 0.95 CA2 (0.56) CA2CA9CA1KMT2ALMNA
Zinc Ion SCHEMBL556332 0.95 CA2 (0.56) CA2CA9CA1KMT2ALMNA
SCHEMBL666853 0.95 CA1 (0.56) CA2CA9CA1KMT2ALMNA

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
CN-104925861-B Shape-controllable size-controllable TiO2 mesoporous single crystal and preparation method thereof 浙江大学 2017-04-12 CN disclosed
CN-104925861-A Shape-controllable size-controllable TiO2 mesoporous single crystal and preparation method thereof UNIV ZHEJIANG 2015-09-23 CN disclosed