SCHEMBL4586259

SCHEMBL4586259

CC(C)(O)C(C)(C)CO

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
SCHEMBL8171029 0.79 ALDH1A1 (0.33)
SCHEMBL8941928 0.77
SCHEMBL16971303 0.74 ALDH1A1 (0.33)
SCHEMBL1092722 0.72
SCHEMBL2616423 0.72
SCHEMBL10906816 0.72
SCHEMBL895801 0.72 ALDH1A1 (0.39)
SCHEMBL2784480 0.72
SCHEMBL641946 0.72
SCHEMBL179970 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114933754-B High-resistance halogen-free flame-retardant cable sheath material and preparation method thereof 中瀚新材料科技有限公司 2023-12-29 CN claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
CN-114933754-B High-resistance halogen-free flame-retardant cable sheath material and preparation method thereof 中瀚新材料科技有限公司 2023-12-29 CN disclosed
CN-110184015-B Environment-friendly efficient cold-patch adhesive and preparation method thereof 山西天启通液压有限公司 2021-06-04 CN disclosed
CN-110184015-A A kind of environment-friendly high-efficiency cold-patching tube gum and preparation method thereof 山西天启通液压有限公司 2019-08-30 CN disclosed
WO-2017097838-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SYSTEMIC SCLEROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-06-15 WO disclosed
EP-1594855-A4 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC (US) 2008-04-16 EP disclosed
US-7354977-B1 Process for hydroxyalkylating carboxylic acid-functionalized materials HENKEL CORPORATION (US) 2008-04-08 US disclosed
EP-1594855-A2 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN, INC. (US) 2005-11-16 EP disclosed
WO-2004074810-A2 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC. (US) 2004-09-02 WO disclosed
EP-0888424-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
EP-0839180-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
US-4609713-A Phenothiazinium perhalide crosslinking agent for polymer containing plurality of secondary amine moieties. THE DOW CHEMICAL COMPANY (US) 1986-09-02 US disclosed