SCHEMBL3977504

SCHEMBL3977504

Cc1ccc(C(O)(P(=O)(O)O)P(=O)(O)O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.40
PGK2 P07205 5/20 0.40
CYP19A1 P11511 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PTPN1 P18031 4/20 0.37
KIF11 P52732 2/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
KMT2A Q03164 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
SCHEMBL16253828 0.79 PGK1 (0.52) PGK1PGK2PTPN1
SCHEMBL10684331 0.78 TSHR (0.48) PGK1PGK2CYP19A1
SCHEMBL3976374 0.78 PGK1 (0.42) PGK1PGK2CYP19A1CYP1A2CYP2D6
Water SCHEMBL5935308 0.76 PGK1 (0.41) PGK1PGK2CYP19A1CYP1A2CYP2D6
SCHEMBL15452886 0.75 ALDH1A1 (0.35) PTPN1
SCHEMBL15911940 0.74 PGK1 (0.44) PGK1PGK2PTPN1
SCHEMBL9496455 0.71 PGK1 (0.44) PGK1PGK2PTPN1KIF11MEN1
SCHEMBL12051657 0.70 ESR1 (0.44) CYP19A1KIF11MEN1MITFKMT2A
SCHEMBL10001975 0.70 MEN1 (0.48) CYP19A1KIF11MEN1MITFKMT2A
SCHEMBL4094309 0.70 TSHR (0.54) PGK1PGK2CYP19A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2057303-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION Henkel AG & Co. KGaA (DE) 2009-05-13 EP disclosed
WO-2008022819-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2008-02-28 WO 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