SCHEMBL27967446

SCHEMBL27967446

C=CC(=O)NC(C(C)C)S(=O)(=O)O.[KH]

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CYP2C19 P33261 1/20 0.33
TGM2 P21980 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL162366 0.98 TSHR (0.54) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
Ammonia Solution, Strong SCHEMBL7618985 0.96 TSHR (0.52) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
SCHEMBL1775598 0.96 TSHR (0.52) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
Lithium SCHEMBL38660899 0.96 TSHR (0.52) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
Water SCHEMBL17782175 0.94 TSHR (0.50) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
Acrylic Acid SCHEMBL1696538 0.93 TSHR (0.48) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
Vinylsulfonic Acid SCHEMBL8505837 0.93 TSHR (0.48) TSHRCYP2C19TGM2ZDHHC20ZDHHC2
SCHEMBL6276407 0.91 TSHR (0.47) TSHRCYP2C19
Acrylamide SCHEMBL27834779 0.91 TSHR (0.47) TSHRCYP2C19ALDH1A1
Tert-Butylamine SCHEMBL11693814 0.90 TSHR (0.46) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106574099-A Hydrophilic material comprising sulfonate copolymer and amino resin 三井化学株式会社 2017-04-19 CN disclosed
CN-105102498-B Copolymer and hydrophilic material comprising the same 三井化学株式会社 2017-04-12 CN disclosed
CN-105073917-B The film formed by copolymer or compositions 三井化学株式会社 2016-11-02 CN disclosed
CN-105102498-A Copolymer and hydrophilic material comprising the same MITSUI CHEMICALS INC 2015-11-25 CN disclosed
CN-105073917-A Film comprising copolymer or composition MITSU CHEMICALS INC 2015-11-18 CN disclosed
CN-103842401-A Composition and film comprising same MITSU CHEMICALS INC 2014-06-04 CN disclosed