SCHEMBL4094823

SCHEMBL4094823

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.53
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS1 P23219 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 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
PTPN1 P18031 1/20 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
Water SCHEMBL5163400 0.98 FDPS (0.52) FDPSPGK1PGK2KDM4ETSHR
Trimethylammonium SCHEMBL27751864 0.92 FDPS (0.47) FDPSPGK1PGK2KDM4ETSHR
SCHEMBL16253828 0.88 PGK1 (0.52) FDPSPGK1PGK2PTPN1PTPN5
SCHEMBL32680100 0.86 FDPS (0.46) FDPSPGK1PGK2KDM4ETSHR
SCHEMBL9496455 0.79 PGK1 (0.44) PGK1PGK2KDM4ETSHRRAB9A
SCHEMBL4088833 0.77 FDPS (0.48) FDPSPGK1PGK2RAB9APTGS1
SCHEMBL10684331 0.77 TSHR (0.48) PGK1PGK2TSHRRAB9ALMNA
SCHEMBL4094309 0.77 TSHR (0.54) PGK1PGK2TSHRMEN1KMT2A
Water SCHEMBL5163061 0.77 PGK1 (0.43) PGK1PGK2KDM4ETSHRRAB9A
SCHEMBL3413596 0.76 PTPN1 (0.60) FDPSPGK1PGK2PTPN1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-0831845-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2004-09-08 EP 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
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 US disclosed
EP-0831845-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1998-12-02 EP disclosed
EP-0831845-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 EP disclosed
WO-1996040156-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed