SCHEMBL4088833

SCHEMBL4088833

Nc1ccc(C(N)(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.48
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
PTGS1 P23219 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KIF11 P52732 1/20 0.37
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 3/20 0.35
PTPN5 P54829 1/20 0.35

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
SCHEMBL1148688 0.82 PGK1 (0.43) PGK1PGK2MEN1KMT2ALMNA
SCHEMBL11212772 0.80 TSHR (0.46) PGK1PGK2MEN1KMT2ALMNA
SCHEMBL14029158 0.80 TSHR (0.46) FDPSPGK1PGK2LMNAMAPT
SCHEMBL283106 0.79 PTPN1 (0.58) FDPSPGK1PGK2KMT2AMAPT
SCHEMBL4094823 0.77 FDPS (0.53) FDPSPGK1PGK2PTGS1MEN1
SCHEMBL15187676 0.76 FDPS (0.47) FDPSPGK1PGK2PTGS1MEN1
SCHEMBL2637396 0.76 FDPS (0.47) FDPSPGK1PGK2PTGS1MEN1
SCHEMBL2637465 0.76 PGK1 (0.78) PGK1PGK2PTPN1PTPN5
Water SCHEMBL5163400 0.76 FDPS (0.52) FDPSPGK1PGK2PTGS1MEN1
Ethane SCHEMBL11406730 0.76 PTPN1 (0.54) FDPSPGK1PGK2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790385-B2 Ink compositions CABOT CORPORATION (US) 2017-10-17 US disclosed
US-20150315393-A1 INK COMPOSITIONS CABOT CORPORATION 2015-11-05 US disclosed
US-9109128-B2 Ink compositions CABOT CORPORATION (US) 2015-08-18 US disclosed
US-20130210999-A1 INK COMPOSITIONS CABOT CORPORATION (US) 2013-08-15 US disclosed
US-8293029-B2 Colored conversion layers on metal surfaces HENKEL AG & CO. KGAA (DE) 2012-10-23 US disclosed
EP-2057303-B1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO KGAA (DE) 2012-05-23 EP disclosed
US-20090214883-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-08-27 US disclosed
EP-1658392-B1 COLOUR CONVERSION LAYERS ON METAL SURFACES HENKEL KGAA (DE) 2007-03-14 EP disclosed
US-20060173099-A1 Colored conversion layers on metal surfaces HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-08-03 US disclosed
EP-1658392-A1 COLOUR CONVERSION LAYERS ON METAL SURFACES Henkel Kommanditgesellschaft auf Aktien (DE) 2006-05-24 EP disclosed
WO-2005021834-A1 COLOUR CONVERSION LAYERS ON METAL SURFACES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-10 WO disclosed
EP-1187883-A1 CHROMIUM-FREE ANTICORROSIVE AND ANTICORROSIVE METHOD Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-20 EP disclosed
WO-2000071626-A1 CHROMIUM-FREE ANTICORROSIVE AND ANTICORROSIVE METHOD HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-11-30 WO disclosed