SCHEMBL3395723

SCHEMBL3395723

C=CCC(OCC)(C(=O)O)C(C(=O)O)S(=O)(=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
SCHEMBL2515385 0.75 GPR84 (0.33)
SCHEMBL9545861 0.75 ALDH1A1 (0.40)
SCHEMBL88776 0.73 ALDH1A1 (0.33)
SCHEMBL5497973 0.73 CHRM1 (0.30)
SCHEMBL1801980 0.72
Ammonia Solution, Strong SCHEMBL7197481 0.71 ALDH1A1 (0.33)
SCHEMBL4537064 0.71 ALDH1A1 (0.30)
SCHEMBL1802046 0.70 ALDH1A1 (0.30)
SCHEMBL3662934 0.68 ZDHHC20 (0.33)
SCHEMBL4805557 0.68 ZDHHC20 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771148-B1 MILD, MOISTURIZING SULFOSUCCINATE CLEANSING COMPOSITIONS UNILEVER PLC (GB) 2007-12-05 EP claimed
EP-1011625-B1 CLEANSING COMPOSITIONS PROCTER & GAMBLE (US) 2002-08-14 EP claimed
US-4077917-A SURFACTANTS ALCOLAC, INC. (US) 1978-03-07 US claimed
EP-1555983-B1 Foamable compositions MERZ PHARMA GMBH & CO KGAA (DE) 2010-10-06 EP disclosed
EP-1555983-A1 O/W EMULSION WITH A COMBINATION OF A SILICONE-BASED EMULSIFIER AND ONE OR SEVERAL SURFACTANTS, SELECTED FROM ANIONIC AND CATIONIC SURFACTANTS, THE PRODUCTION AND USE THEROF Merz Pharma GmbH & Co.KGaA (DE) 2005-07-27 EP disclosed
WO-2004039338-A1 O/W EMULSION WITH A COMBINATION OF A SILICONE-BASED EMULSIFIER AND ONE OR SEVERAL SURFACTANTS, SELECTED FROM ANIONIC AND CATIONIC SURFACTANTS, THE PRODUCTION AND USE THEROF MERZ PHARMA GMBH & CO. KGAA (DE) 2004-05-13 WO disclosed
EP-0388275-A1 Dermatologic and cosmetic composition based on alcoylcarboxamide and zinc salts useful in the treatment of seborrheic dermatitis and/or seborrheic disorders PIERRE FABRE COSMETIQUE (FR) 1990-09-19 EP disclosed
US-4391719-A Ethoxylated sulfosuccinate additives for stabilizing solutions of petroleum sulfonates in hard brine PHILLIPS PETROLEUM COMPANY (US) 1983-07-05 US disclosed
US-4385901-A Readily dispersible dye preparations CIBA-GEIGY CORPORATION (US) 1983-05-31 US disclosed
US-4274279-A Viscosity measuring device PHILLIPS PETROLEUM COMPANY (US) 1981-06-23 US disclosed