SCHEMBL3397329

SCHEMBL3397329

O=[N+]([O-])c1cccc(P(=O)([O-])[O-])c1.[Cu+2]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 5/20 0.50
ACHE P22303 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
MMP2 P08253 1/20 0.49
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACP3 P15309 1/20 0.45
PTPRC P08575 1/20 0.45

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
SCHEMBL18263894 0.85 TSHR (0.59) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL30764114 0.84 TSHR (0.64) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL8408187 0.84 TSHR (0.64) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL2637261 0.82 TSHR (0.61) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL917013 0.82 TSHR (0.61) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL11418761 0.81 TSHR (0.59) TSHRLMNAALDH1A1ACHETDP1
Fluoride SCHEMBL11418765 0.81 TSHR (0.59) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL15158344 0.81 TSHR (0.59) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL2031433 0.81 TSHR (0.59) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL29479370 0.81 TSHR (0.59) TSHRLMNAALDH1A1ACHETDP1

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
US-8461075-B2 Recording material and method of recording TOYO INK MFG. CO., LTD. (JP) 2013-06-11 US disclosed
EP-1800885-B1 RECORDING MATERIAL AND METHOD OF RECORDING TOYO INK MFG CO (JP) 2010-08-11 EP disclosed
US-20080113861-A1 laser coloring layer of pigments, dyes, inorganic materials; foaming agent, urethane binder resin; YAG laser wavelength absorption range of 700 to 12,000 nm; generate gas within recording material, forming convex protrusions; food packaging, Braille, friction, buffering, spacer materials TOKYO INK MFG. CO., LTD. (JP) 2008-05-15 US disclosed
EP-1800885-A1 RECORDING MATERIAL AND METHOD OF RECORDING TOYO INK MFG. CO., LTD. (JP) 2007-06-27 EP disclosed