SCHEMBL773307

SCHEMBL773307

CCc1c(CP(=O)([O-])[O-])cc(C(C)(C)C)c(O)c1C(C)(C)C.CCc1c(CP(=O)([O-])[O-])cc(C(C)(C)C)c(O)c1C(C)(C)C.[Ni+4]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.40
NR1I2 O75469 1/20 0.40
HSPA5 P11021 2/20 0.38
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
GALR3 O60755 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
GLRA3 O75311 1/20 0.32

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
SCHEMBL496720 0.97 HMGCR (0.40) HMGCRNR1I2HSPA5LMNARECQL
SCHEMBL5967398 0.97 HMGCR (0.40) HMGCRNR1I2HSPA5LMNARECQL
SCHEMBL11062891 0.97 HMGCR (0.40) HMGCRNR1I2HSPA5LMNARECQL
SCHEMBL6227681 0.97 HMGCR (0.40) HMGCRNR1I2HSPA5LMNARECQL
SCHEMBL5967421 0.97 HMGCR (0.40) HMGCRNR1I2HSPA5LMNARECQL
SCHEMBL5967484 0.97 HMGCR (0.40) HMGCRNR1I2HSPA5LMNARECQL
SCHEMBL9007085 0.89 HSPA5 (0.38) HMGCRNR1I2HSPA5LMNARECQL
SCHEMBL10825683 0.87 HMGCR (0.37) HMGCRNR1I2HSPA5LMNARECQL
SCHEMBL5967509 0.86 HSPA5 (0.40) HMGCRNR1I2HSPA5LMNARECQL
SCHEMBL1509707 0.86 HSPA5 (0.40) HMGCRNR1I2HSPA5LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187082-B1 COMPOSITION COMPRISED OF THIOUREA AND INK CARBAMATE, EACH WITH SPECIFIED MELTING POINT AND ACOUSTIC-LOSS VALUE, LIGHTFASTNESS COMPONENT, LIGHTFAST ANTIOXIDANT, COLORANT XEROX CORPORATION 2001-02-13 US claimed
US-6132499-A Inks XEROX CORPORATION (US) 2000-10-17 US claimed
US-6045607-A FIRST AND SECOND SOLID CARBAMATES WITH A DISSIMILAR MELTING POINTS; LIGHTFASTNESS COMPONENT; A LIGHTFASTNESS ANTIOXIDANTS, AND A COLORANT; USEFUL FOR ACOUSTIC INK PRINTING XEROX CORPORATION (US) 2000-04-04 US claimed
US-8562729-B2 Highlighting ink formulation comprising an anti-smear agent SANFORD, L.P. (US) 2013-10-22 US disclosed
EP-2614120-A1 HIGHLIGHTING INK FORMULATION COMPRISING AN ANTI-SMEAR AGENT Sanford, L.P. (US) 2013-07-17 EP disclosed
WO-2012040023-A1 HIGHLIGHTING INK FORMULATION COMPRISING AN ANTI-SMEAR AGENT SANFORD, L.P. (US) 2012-03-29 WO disclosed
US-20120070584-A1 Highlighting Ink Formulation Comprising an Anti-Smear Agent SANFORD, L.P. (US) 2012-03-22 US disclosed
US-6444294-B1 MULTILAYER PHOTOGRAPHIC FILMS XEROX CORPORATION 2002-09-03 US disclosed
WO-2002006392-A1 STABILIZER COMPOSITIONS COMPRSING A MONOMERIC DIHYDROPYRIDINE DERIVATIVE AND THEIR USE AKZO NOBEL N.V. (US) 2002-01-24 WO disclosed
US-6187082-B1 COMPOSITION COMPRISED OF THIOUREA AND INK CARBAMATE, EACH WITH SPECIFIED MELTING POINT AND ACOUSTIC-LOSS VALUE, LIGHTFASTNESS COMPONENT, LIGHTFAST ANTIOXIDANT, COLORANT XEROX CORPORATION 2001-02-13 US disclosed
US-6132499-A Inks XEROX CORPORATION (US) 2000-10-17 US disclosed
US-6045607-A FIRST AND SECOND SOLID CARBAMATES WITH A DISSIMILAR MELTING POINTS; LIGHTFASTNESS COMPONENT; A LIGHTFASTNESS ANTIOXIDANTS, AND A COLORANT; USEFUL FOR ACOUSTIC INK PRINTING XEROX CORPORATION (US) 2000-04-04 US disclosed
US-5919552-A Coated substrates and methods XEROX CORPORATION (US) 1999-07-06 US disclosed
US-5709976-A Coated papers XEROX CORPORATION (US) 1998-01-20 US disclosed
US-3991130-A Organo-nickel salts as adhesion promotors for vulcanizable elastomers to metals CIBA-GEIGY CORPORATION (US) 1976-11-09 US disclosed