SCHEMBL3124369

SCHEMBL3124369

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCC(O)CCCCCC)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.59
▸ CA1 P00915 1/20 0.59
▸ FFAR1 O14842 2/20 0.58
▸ FFAR4 Q5NUL3 1/20 0.58
▸ GPR84 Q9NQS5 8/20 0.55
▸ NFKB1 P19838 1/20 0.52
▸ GRIK1 P39086 2/20 0.49
▸ GRIK2 Q13002 2/20 0.49
▸ FAAH O00519 2/20 0.47
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.44
▸ ACACB O00763 1/20 0.44
▸ ACACA Q13085 1/20 0.44

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
SCHEMBL30829073 1.00 CA2 (0.59) CA2CA1FFAR1FFAR4GPR84
SCHEMBL4582551 1.00 CA2 (0.59) CA2CA1FFAR1FFAR4GPR84
SCHEMBL1531290 0.98 CA2 (0.57) CA2CA1FFAR1FFAR4GPR84
SCHEMBL11524851 0.98 CA2 (0.62) CA2CA1FFAR1FFAR4GPR84
SCHEMBL3885719 0.96 CA2 (0.55) CA2CA1FFAR1FFAR4GPR84
SCHEMBL4582598 0.94 CA2 (0.57) CA2CA1FFAR1FFAR4GPR84
SCHEMBL6362988 0.93 CA2 (0.52) CA2CA1FFAR1FFAR4GPR84
SCHEMBL6431063 0.92 CA2 (0.71) CA2CA1FFAR1FFAR4GPR84
SCHEMBL8430831 0.92 CA2 (0.68) CA2CA1FFAR1FFAR4GPR84
SCHEMBL2090530 0.92 CA2 (0.68) CA2CA1FFAR1FFAR4GPR84

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674842-B2 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION (US) 2010-03-09 — — US claimed
US-7541406-B2 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION (US) 2009-06-02 — — US claimed
US-7504446-B2 Aqueous inks containing colored polymers XEROX CORPORATION (US) 2009-03-17 — — US claimed
US-20070123642-A1 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION 2007-05-31 — — US claimed
US-20070120909-A1 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION 2007-05-31 — — US claimed
US-20060074142-A1 Aqueous inks containing colored polymers XEROX CORPORATION 2006-04-06 — — US claimed
US-7674842-B2 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION (US) 2010-03-09 — — US disclosed
US-7541406-B2 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION (US) 2009-06-02 — — US disclosed
US-7520222-B2 Phase change ink formulation containing a combination of a urethane resin, a mixed urethane/urearesin, a mono-amide and a polyethylene wax XEROX CORPORATION (US) 2009-04-21 — — US disclosed
US-7504446-B2 Aqueous inks containing colored polymers XEROX CORPORATION (US) 2009-03-17 — — US disclosed
US-7449515-B2 Phase change inks containing compounds derived from isocyanate, unsaturated alcohol, and polyol XEROX CORPORATION (US) 2008-11-11 — — US disclosed
EP-1099734-B1 Phase change solid imaging material 3D SYSTEMS INC (US) 2008-05-28 — — EP disclosed
US-20070120909-A1 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION 2007-05-31 — — US disclosed
WO-1998014493-A1 DIAMIDEDIURETHANES AND HOT-MELT PRINTING THEREWITH UNION CAMP CORPORATION (US) 1998-04-09 — — WO disclosed
EP-0816445-A1 Isocyanate-derived materials for use in phase change ink jet inks TEKTRONIX, INC. (US) 1998-01-07 — — EP disclosed
EP-0816410-A1 Isocyanate-derived colored resins for use in phase change ink jet inks TEKTRONIX, INC. (US) 1998-01-07 — — EP disclosed
EP-0816446-A1 Phase change ink formulation using a urethane and urethane urea isocyanate derived resins TEKTRONIX, INC. (US) 1998-01-07 — — EP disclosed
EP-0816447-A1 Phase change ink formulation using a urethane isocyanate-derived resin and a urethane isocyanate-derived wax TEKTRONIX, INC. (US) 1998-01-07 — — EP disclosed
EP-0816449-A1 Phase change ink formulation using urea and urethane isocyanante derived resins TEKTRONIX, INC. (US) 1998-01-07 — — EP disclosed
EP-0816448-A1 Phase change ink formulation using a urethane isocyanate-derived resin TEKTRONIX, INC. (US) 1998-01-07 — — EP disclosed
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