SCHEMBL5055552

SCHEMBL5055552

CN(C)CCN(CCN(C)C)CCN(C)C.Cl[Cu]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.37
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
DNM1 Q05193 3/20 0.32

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
SCHEMBL6295320 0.89 CA12 (0.57) CA12CA2CA3CA4CA6
SCHEMBL15444951 0.89 CA12 (0.57) CA12CA2CA3CA4CA6
SCHEMBL12794518 0.89 CA12 (0.57) CA12CA2CA3CA4CA6
SCHEMBL82581 0.89 CA12 (0.57) CA12CA2CA3CA4CA6
SCHEMBL28359584 0.85 CA12 (0.53) CA12CA2CA3CA4CA6
Water SCHEMBL29774698 0.85 CA12 (0.53) CA12CA2CA3CA4CA6
SCHEMBL30952353 0.85 CA12 (0.53) CA12CA2CA3CA4CA6
Water SCHEMBL29462680 0.85 CA12 (0.53) CA12CA2CA3CA4CA6
SCHEMBL5055561 0.83 CA12 (0.44) CA12CA2CA3CA4CA6
Hydrochloric Acid SCHEMBL5055542 0.81 CA12 (0.50) CA12CA2CA3CA4CA6

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-105778115-A Star-like silsesquioxane-based grafted N-isopropylacrylamide-b-polyethyleneglycol block copolymer and preparation method thereof 西北工业大学 2016-07-20 CN disclosed
US-20080160559-A1 Thermo-responsive blends and uses thereof CORNING INCORPORATED 2008-07-03 US disclosed
EP-1873205-A1 Thermo-responsive blends and uses thereof CORNING INCORPORATED (US) 2008-01-02 EP disclosed
WO-2007144356-A1 THERMO-RESPONSIVE BLENDS AND USES THEREOF CORNING INCORPORATED (US) 2007-12-21 WO disclosed