SCHEMBL4391034

SCHEMBL4391034

C=C(C)C(=O)NCCC(NC)(NC)NC.COS(=O)(=O)O

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4393922 0.91 KDM4E (0.31)
Sulfuric Acid SCHEMBL8720469 0.91 TGFBR1 (0.33)
SCHEMBL316761 0.87 TGFBR1 (0.32)
SCHEMBL16114711 0.79 EPHX1 (0.36)
SCHEMBL15846659 0.76 ACHE (0.44)
SCHEMBL3820492 0.75 TGFBR1 (0.39)
Trimethylammonium SCHEMBL866268 0.75 NPC1 (0.35)
Trimethylammonium SCHEMBL148949 0.75 NPC1 (0.35)
SCHEMBL127975 0.73 KDM4E (0.46)
Trimethylammonium SCHEMBL1707073 0.73 ACHE (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337594-B1 TITANIUM DIOXIDE AQUEOUS DISPERSION, SUBSTRATE OBTAINED FROM SAID DISPERSION AND SELF-CLEANING METHOD FOR SAID SUBSTRATE RHODIA CHIMIE SA (FR) 2007-07-04 EP claimed
US-6905814-B1 Use of film-forming titanium dioxide dispersions for cleaning and disinfecting surfaces, film-forming titanium dioxide dispersions RHODIA CHIMIE 2005-06-14 US claimed
US-8883262-B2 Modification of solid surfaces by application of polymer associations thereon RHODIA OPERATIONS (FR) 2014-11-11 US disclosed
US-20090306292-A1 MODIFICATION OF SOLID SURFACES BY APPLICATION OF POLYMER ASSOCIATIONS THEREON RHODIA RECHERCHES ET TECHNOLOGIES (FR) 2009-12-10 US disclosed
US-20070128142-A1 Emulsion for conveying a hydrophobic active material to a substrate in aqueous medium RHODIA CHIMIE (FR) 2007-06-07 US disclosed
US-20060194711-A1 Preformulated additive for a composition for treating textile fiber articles and use of said additive as care agent PROCTER & GAMBLE COMPAMY, THE 2006-08-31 US disclosed
US-6905814-B1 Use of film-forming titanium dioxide dispersions for cleaning and disinfecting surfaces, film-forming titanium dioxide dispersions RHODIA CHIMIE 2005-06-14 US disclosed
US-20030050218-A1 Preformulated additive for a composition for treating textile fiber articles and use of said additive as care agent PROCTER & GAMBLE COMPAMY, THE 2003-03-13 US disclosed