SCHEMBL27817873

SCHEMBL27817873

C=C(C(N)=O)S(=O)(=O)OCCC.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.43
CA2 P00918 11/20 0.43
CA9 Q16790 8/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 3/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 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
SCHEMBL27504781 0.98 CA1 (0.45) CA1CA2CA9TDP1CA12
SCHEMBL27969040 0.89 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL25212415 0.87 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL28258642 0.86 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL28552483 0.86 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL23493549 0.84 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL23493551 0.84 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL23493552 0.84 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL28799296 0.84 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL27997360 0.84 CA1 (0.52) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103319964-B Water-based binder system and their purposes in coating composition is produced 塞拉尼斯销售德国有限公司 2018-04-13 CN disclosed
CN-102144955-B Polymer conditioner for hairs as well as preparation method and application thereof UNIV SOUTH CHINA TECH 2013-09-25 CN disclosed
CN-102144955-A Polymer conditioner for hairs as well as preparation method and application thereof UNIV SOUTH CHINA TECH 2011-08-10 CN disclosed