SCHEMBL7558816

SCHEMBL7558816

C[N+](C)(C(N)CCO)C(CCO)(CCCS(=O)(=O)O)C(=O)[O-]

nearest known ligand 0.00

⚠ 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
SCHEMBL2842390 0.81 APP (0.31)
SCHEMBL11133656 0.80
SCHEMBL127781 0.80 TP53 (0.32)
SCHEMBL8524200 0.77 EPHX2 (0.34)
SCHEMBL9438586 0.77 BHMT (0.30)
SCHEMBL4659604 0.76
SCHEMBL1304102 0.75 CPT2 (0.38)
SCHEMBL11134711 0.71 APP (0.46)
SCHEMBL6669279 0.70 APP (0.31)
SCHEMBL3830783 0.68 DNM1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180132-A1 DETERGENT COMPOSTITIONS COMPRISING POLYMERIC SUDS ENHANCERS WHICH HAVE IMPROVED MILDNESS AND SKIN FEEL THE PROCTER & GAMBLE COMPANY (US) 2002-02-20 EP disclosed
EP-1180131-A2 DETERGENT COMPOSITIONS COMPRISING POLYMERIC SUDS VOLUME AND SUDS DURATION ENHANCERS THE PROCTER & GAMBLE COMPANY (US) 2002-02-20 EP disclosed
WO-2000071652-A2 DETERGENT COMPOSITIONS COMPRISING POLYMERIC SUDS VOLUME AND SUDS DURATION ENHANCERS THE PROCTER & GAMBLE COMPANY (US) 2000-11-30 WO disclosed
WO-2000071658-A1 DETERGENT COMPOSTITIONS COMPRISING POLYMERIC SUDS ENHANCERS WHICH HAVE IMPROVED MILDNESS AND SKIN FEEL THE PROCTER & GAMBLE COMPANY (US) 2000-11-30 WO disclosed
EP-1023042-A1 PERSONAL CLEANSING COMPOSITIONS COMPRISING MID-CHAIN BRANCHED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2000-08-02 EP disclosed
EP-0938285-A1 SHAMPOO COMPOSITION COMPRISING SILICONE EMULSION THE PROCTER & GAMBLE COMPANY (US) 1999-09-01 EP disclosed
WO-1999018929-A9 PERSONAL CLEANSING COMPOSITIONS COMPRISING MID-CHAIN BRANCHED SURFACTANTS PROCTER & GAMBLE (US) 1999-08-26 WO disclosed
EP-0920298-A1 SHAMPOO COMPOSITIONS WITH IMPROVED DEPOSITION OF ANTIMICROBIAL AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-06-09 EP disclosed
WO-1999018929-A1 PERSONAL CLEANSING COMPOSITIONS COMPRISING MID-CHAIN BRANCHED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1999-04-22 WO disclosed
WO-1999018928-A1 PERSONAL CLEANSING COMPOSITIONS COMPRISING MID-CHAIN BRANCHED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1999-04-22 WO disclosed
WO-1998005742-A1 LIQUID CLEANING COMPOSITIONS CONTAINING DIANIONIC ESTERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-12 WO disclosed
WO-1998004233-A1 CONDITIONING SHAMPOO COMPOSITIONS COMPRISING POLYALKOXYLATED POLYALKYLENEAMINE THE PROCTER & GAMBLE COMPANY (US) 1998-02-05 WO disclosed
WO-1998004238-A1 CONDITIONING SHAMPOO COMPOSITIONS COMPRISING QUATERNARY POLYALKOXYLATED POLYALKYLENEAMINE THE PROCTER & GAMBLE COMPANY (US) 1998-02-05 WO disclosed
WO-1998000498-A1 LIQUID CLEANING COMPOSITIONS AND SHAMPOOS CONTAINING DIANIONIC OR ALKOXYLATED DIANIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1998-01-08 WO disclosed
WO-1997039089-A1 LIQUID CLEANING COMPOSITIONS CONTAINING SELECTED MID-CHAIN BRANCHED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1997-10-23 WO disclosed
WO-1997026854-A1 SHAMPOO COMPOSITIONS WITH IMPROVED DEPOSITION OF ANTIMICROBIAL AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-07-31 WO disclosed
WO-1997014405-A1 CONDITIONING SHAMPOOS CONTAINING POLYALKYLENE GLYCOL THE PROCTER & GAMBLE COMPANY (US) 1997-04-24 WO disclosed
EP-0706366-A1 CONDITIONING SHAMPOOS CONTAINING POLYVALENT METAL CATIONS THE PROCTER & GAMBLE COMPANY (US) 1996-04-17 EP disclosed
WO-1995001152-A1 CONDITIONING SHAMPOOS CONTAINING POLYVALENT METAL CATIONS THE PROCTER & GAMBLE COMPANY (US) 1995-01-12 WO disclosed
WO-1994005256-A1 MILD, SUBSTANTIALLY COLORLESS SHAMPOO COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1994-03-17 WO disclosed