SCHEMBL3403330

SCHEMBL3403330

Cc1cc([N+](=O)[O-])ccc1P(=O)([O-])[O-].[Cu]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
TSHR P16473 5/20 0.58
TDP1 Q9NUW8 3/20 0.58
CYP3A4 P08684 4/20 0.55
ACHE P22303 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 5/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE2A O00408 1/20 0.41
PDE5A O76074 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
PDE4A P27815 1/20 0.41
BLM P54132 1/20 0.41
PDE1B Q01064 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL3403326 0.96 ALDH1A1 (0.58) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL917348 0.84 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL915826 0.76 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL17652639 0.74 CA1 (0.49) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL29511002 0.74 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL384312 0.74 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL915256 0.73 CA1 (0.48) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL25274034 0.73 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL27564594 0.73 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL30683694 0.72 ALDH1A1 (0.72) ALDH1A1TSHRTDP1CYP3A4ACHE

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