SCHEMBL27475414

SCHEMBL27475414

C=CCOCC=C.CC(OS(=O)(=O)O)OS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
CA4 P22748 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
SCHEMBL15224253 0.86 TDP1 (0.32) TDP1
SCHEMBL2789074 0.82 CA1 (0.40) TDP1CA1CA2CA7CA9
SCHEMBL27584787 0.82 MEN1 (0.32) TDP1CA1CA2CA7MEN1
Ammonia Solution, Strong SCHEMBL9769068 0.81 CA1 (0.39) TDP1CA1CA2CA7CA9
Sulfuric Acid SCHEMBL2433745 0.79 CA2 (0.39) TDP1CA1CA2CA7CA9
Sulfuric Acid SCHEMBL27511669 0.79 CA2 (0.39) TDP1CA1CA2CA7CA9
Sulfuric Acid SCHEMBL31310 0.79 CA2 (0.39) TDP1CA1CA2CA7CA9
SCHEMBL10904910 0.79 CA2 (0.39) TDP1CA1CA2CA9
SCHEMBL29065431 0.78 CA2 (0.35) CA1CA2CA7CA9MEN1
Propylene Glycol SCHEMBL20740683 0.78 TDP1 (0.40) TDP1CA1CA2CA7CA9

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
CN-101001927-B Recording ink, inkjet recording method and inkjet recording apparatus using the same RICOH KK 2011-07-13 CN disclosed
CN-101001927-A Recording ink, inkjet recording method and inkjet recording apparatus using the same RICOH KK (JP) 2007-07-18 CN disclosed
CN-1175094-C Detergent composition 花王株式会社 2004-11-10 CN disclosed
CN-1225384-A Detergent composition KAO CORP (JP) 1999-08-11 CN disclosed