SCHEMBL3403564

SCHEMBL3403564

O=P(O)(O)c1ccccc1F.[Cu]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 4/20 0.42
POLB P06746 3/20 0.42
NPC1 O15118 3/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
ALPG P10696 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
GAA P10253 1/20 0.38
PTPN1 P18031 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3889145 0.98 CA2 (0.44) PTK2BPOLBNPC1CA2CA4
SCHEMBL11587238 0.79 CYP1A2 (0.39) PTK2BPOLBNPC1CA2CA4
SCHEMBL28880214 0.79 CES2 (0.45) PTK2BPOLBNPC1CA2CA4
SCHEMBL30210989 0.79 CES2 (0.45) PTK2BPOLBNPC1CA2CA4
SCHEMBL2173729 0.79 CA2 (0.55) PTK2BPOLBNPC1CA2CA4
SCHEMBL29733396 0.79 CA2 (0.55) PTK2BPOLBNPC1CA2CA4
SCHEMBL777631 0.77 CES2 (0.39) NPC1ALDH1A1RAB9ACES2CES1
SCHEMBL4132505 0.76 CA2 (0.48) POLBNPC1CA2CA4CA5A
SCHEMBL10072934 0.75 CES2 (0.44) CA2CA4CA5AALDH1A1RAB9A
SCHEMBL779531 0.74 CA2 (0.36) PTK2BPOLBNPC1CA2CA4

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