SCHEMBL6544577

SCHEMBL6544577

C=C(C)COCC(O)C[N+](C)(C)C.COS(=O)(=O)[O-]

nearest known ligand 0.33

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.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 1/20 0.33
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
Sulfuric Acid SCHEMBL11519848 0.92 SLC22A16 (0.36) SLC22A16MAPT
SCHEMBL2210061 0.85 MAPT (0.34) SLC22A16MAPT
Hydrochloric Acid SCHEMBL204257 0.83 MAPT (0.38) SLC22A16MAPT
Bromide SCHEMBL11520159 0.83 MAPT (0.33) SLC22A16MAPT
Phosphoric Acid SCHEMBL8763232 0.82 SMN1; SMN2 (0.36) SLC22A16MAPT
SCHEMBL5492345 0.78 POLB (0.37) POLBMAPT
SCHEMBL2165563 0.77 TSHR (0.46) SLC22A16MAPT
SCHEMBL1845385 0.76
SCHEMBL366307 0.73 SLC22A16 (0.38) SLC22A16POLBMAPT
SCHEMBL201963 0.73 KDM4E (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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869169-B1 Detergent composition NAT STARCH AND CHEMICALINVEST (US) 2004-10-06 EP disclosed
EP-0879793-B1 A process for treating water to inhibit scale formation NAT STARCH AND CHEMICALINVEST (US) 2004-01-02 EP disclosed
EP-0608845-B1 Multifunctional maleate polymers NAT STARCH CHEM INVEST (US) 2003-07-02 EP disclosed
EP-0632083-B1 Novel associative monomers and polymers NAT STARCH CHEM INVEST (US) 2000-04-12 EP disclosed
US-5925610-A POLYMERS AS ANTIDEPOSIT AGENTS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1999-07-20 US disclosed
US-5866012-A WATER TREATMENT NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1999-02-02 US disclosed
EP-0879793-A1 A process for treating water to inhibit scale formation NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1998-11-25 EP disclosed
EP-0878446-A1 A proces for sequestration of water hardness ions NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1998-11-18 EP disclosed
EP-0875553-A1 Detergent composition NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1998-11-04 EP disclosed
EP-0869169-A1 Detergent composition NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1998-10-07 EP disclosed
EP-0339372-B1 Method and composition for thickening or stabilizing aqueous media with polyamphoteric polysaccharides NAT STARCH CHEM INVEST (US) 1996-01-31 EP disclosed
US-5478881-A Unsaturated acids or esters, unsaturated carbamates; enhanced thickening efficiency NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1995-12-26 US disclosed
US-5442091-A Nonionic surfactant containing unsaturated carbamate monomers; thickeners NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1995-08-15 US disclosed
US-5412142-A Unsaturated oxyalkylene carbamates, thickeners NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1995-05-02 US disclosed
EP-0632083-A1 Novel associative monomers and polymers National Starch and Chemical Investment Holding Corporation (US) 1995-01-04 EP disclosed
EP-0608845-A2 Multifunctional maleate polymers National Starch and Chemical Investment Holding Corporation (US) 1994-08-03 EP disclosed
US-5294692-A Butylene oxide-ethylene oxide copolymers modified with isocyanatoalkyl acrylates for coatings, sizing, drilling fluid or detergents NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1994-03-15 US disclosed
US-5132285-A Or enhancing water retention, graft copolymerizing a polysaccharide with a cationic/anionic monomer pair or a zwitterionic monomer, thermal initiator, dispersing resultant polyampholyte in aqueous media NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-07-21 US disclosed
US-5132284-A Thickeners, stabilizers; papermaking, oil drilling; guar gum NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-07-21 US disclosed
EP-0339372-A2 Method and composition for thickening or stabilizing aqueous media with polyamphoteric polysaccharides National Starch and Chemical Investment Holding Corporation (US) 1989-11-02 EP disclosed