Vinylsulfonic Acid

Vinylsulfonic Acid

SCHEMBL4897834

C=CS(=O)(=O)O.OCCN1CCNCC1.[Na]

nearest known ligand 0.37

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CXCR4 P61073 2/20 0.34
KDM4E B2RXH2 1/20 0.32
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
KMT2A Q03164 2/20 0.32
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32
MEN1 O00255 1/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA9 Q16790 3/20 0.32
CA12 O43570 2/20 0.31
LOX P28300 1/20 0.31

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
Vinylsulfonic Acid SCHEMBL7860643 0.98 POLB (0.36) ALDH1A1MAPTPOLBSMN1; SMN2HSD17B10
Sulfuric Acid SCHEMBL28627994 0.85 POLB (0.39) ALDH1A1POLBSMN1; SMN2HSD17B10CXCR4
Sulfuric Acid SCHEMBL8846690 0.85 POLB (0.42) ALDH1A1POLBSMN1; SMN2HSD17B10CXCR4
SCHEMBL6010040 0.82 POLB (0.37) ALDH1A1POLBSMN1; SMN2HSD17B10CXCR4
Sulfuric Acid SCHEMBL29010960 0.82 POLB (0.39) ALDH1A1POLBSMN1; SMN2HSD17B10CXCR4
SCHEMBL3862299 0.82 HSD17B10 (0.43) ALDH1A1POLBSMN1; SMN2HSD17B10CXCR4
SCHEMBL29505898 0.81 POLB (0.48) ALDH1A1MAPTPOLBSMN1; SMN2HSD17B10
SCHEMBL28790654 0.80 POLB (0.38) ALDH1A1MAPTPOLBSMN1; SMN2HSD17B10
SCHEMBL28478814 0.80 POLB (0.38) ALDH1A1POLBSMN1; SMN2HSD17B10CXCR4
SCHEMBL83682 0.80 POLB (0.38) ALDH1A1MAPTPOLBSMN1; SMN2HSD17B10

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
US-8876972-B2 Crystallization device RIGAKU CORPORATION (JP) 2014-11-04 US disclosed
US-20080019888-A1 Crystallization device RIGAKU CORPORATION (JP) 2008-01-24 US disclosed