SCHEMBL6445293

SCHEMBL6445293

C=C(CC[N+](C)(C)C)C(=O)[O-].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 7)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.31
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
ENPP2 Q13822 3/20 0.31
GALR3 O60755 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 SCHEMBL16196071 0.89 ACHE (0.34) ADRA2AADRA1AMAPTBLMENPP2
SCHEMBL1974755 0.85 ACHE (0.39) ADRA2AADRA1AMAPTBLMACHE
Hydrochloric Acid SCHEMBL6550830 0.83 ACHE (0.38) ADRA2AADRA1AMAPTBLMACHE
SCHEMBL11528594 0.81 ACHE (0.35) ADRA2AADRA1AMAPTBLMENPP2
Sulfuric Acid SCHEMBL28094460 0.75 ALDH1A1 (0.35) ADRA2AADRA1AMAPTBLMENPP2
Sulfuric Acid SCHEMBL28074173 0.75 ALDH1A1 (0.35) ADRA2AADRA1AMAPTBLMENPP2
SCHEMBL170245 0.74 ACHE (0.52) ADRA2AADRA1AENPP2ACHE
Hydrochloric Acid SCHEMBL8448319 0.72 ACHE (0.50) ADRA2AADRA1AENPP2ACHE
SCHEMBL15397899 0.72 ACHE (0.45) ENPP2ACHE
Tetramethylammonium Ion SCHEMBL9641526 0.71 PTGS1 (0.30) BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497348-A1 CATIONICALLY MODIFIED, ANIONIC POLYURETHANE DISPERSIONS BASF AKTIENGESELLSCHAFT (DE) 2005-01-19 EP disclosed
EP-1402104-A1 METHOD FOR TREATING SURFACES OF TEXTILES AND NON-TEXTILES, IN SUCH A WAY AS TO STIMULATE THE DETACHMENT OF DIRT BASF AKTIENGESELLSCHAFT (DE) 2004-03-31 EP disclosed
EP-1402106-A2 TREATMENT METHOD, WHICH PROMOTES THE REMOVAL OF DIRT, FOR THE SURFACES OF TEXTILES AND NON-TEXTILES BASF AKTIENGESELLSCHAFT (DE) 2004-03-31 EP disclosed
WO-2003085020-A1 CATIONICALLY MODIFIED, ANIONIC POLYURETHANE DISPERSIONS BASF AKTIENGESELLSCHAFT (DE) 2003-10-16 WO disclosed
WO-2002103106-A1 METHOD FOR TREATING SURFACES OF TEXTILES AND NON-TEXTILES, IN SUCH A WAY AS TO STIMULATE THE DETACHMENT OF DIRT BASF AKTIENGESELLSCHAFT (DE) 2002-12-27 WO disclosed
WO-2002103105-A2 TREATMENT METHOD, WHICH PROMOTES THE REMOVAL OF DIRT, FOR THE SURFACES OF TEXTILES AND NON-TEXTILES BASF AKTIENGESELLSCHAFT (DE) 2002-12-27 WO disclosed