SCHEMBL8169689

SCHEMBL8169689

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

nearest known ligand 0.37

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.33
CHRM1 known ✓ P11229 2/20 0.32
CHRM3 known ✓ P20309 2/20 0.32
POLB P06746 1/20 0.37
GALR3 O60755 2/20 0.33
CHRM5 P08912 2/20 0.32
BBOX1 O75936 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4091792 0.90 POLB (0.39) POLBACHEGALR3CHRM5CHRM1
Hydrochloric Acid SCHEMBL8166002 0.84 ACHE (0.41) POLBACHEGALR3CHRM5CHRM1
SCHEMBL18690276 0.80 ACHE (0.46) POLBACHEGALR3CHRM5CHRM1
SCHEMBL11528594 0.79 ACHE (0.35) ACHEGALR3CHRM5CHRM1CHRM3
Sulfuric Acid SCHEMBL774507 0.78 ACHE (0.40) POLBACHEGALR3CHRM5CHRM1
SCHEMBL18690273 0.76 ACHE (0.44) POLBACHEGALR3CHRM5CHRM1
SCHEMBL34072 0.75 CHRM5 (0.50) ACHEGALR3CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1292784 0.75 CHRM5 (0.50) ACHEGALR3CHRM5CHRM1CHRM3
SCHEMBL2711096 0.75 TDP1 (0.39) POLBGALR3CHRM5CHRM1CHRM3
SCHEMBL23407297 0.75 BBOX1 (0.41) POLBACHEGALR3BBOX1SMN1; SMN2

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
US-5741875-A GRAFT POLYMER CONTAINING LIGNIN; HIGH STRENGTH; IMPACT STRENGTH; ACID RESISTANCE; ALKALI RESISTANCE; STABILITY MEISTER JOHN J (US) 1998-04-21 US claimed
US-5424382-A Decomposing lignin grafted with addition polymer MEISTER JOHN J (US) 1995-06-13 US claimed
US-10889674-B2 Method of preparing a grafted copolymer of lignin and/or cellulose BIOFIBER TECH SWEDEN AB (SE) 2021-01-12 US disclosed
US-20190202956-A1 Method of Preparing a Grafted Copolymer of Lignin and/or Cellulose BIOFIBER TECH SWEDEN AB (SE) 2019-07-04 US disclosed
US-6013774-A FREE RADICALLY GRAFT COPOLYMERIZING A SUBSTITUTED ETHENE OR ETHYNE ONTO LIGNIN, THEN MIXING THE GRAFTED LIGNIN WITH A POLYMER MEISTER JOHN J (US) 2000-01-11 US disclosed
US-5852069-A Biodegradable plastics and composites from wood MEISTER JOHN J (US) 1998-12-22 US disclosed
US-5741875-A GRAFT POLYMER CONTAINING LIGNIN; HIGH STRENGTH; IMPACT STRENGTH; ACID RESISTANCE; ALKALI RESISTANCE; STABILITY MEISTER JOHN J (US) 1998-04-21 US disclosed
US-5656708-A ADDING LIGNITE TO THE SOLVENT, ADDING HALIDE SALT, PEROXIDE AND HYDROPHOBIC ETHENE MONOMERS; FREE-RADICAL GRAFT POLYMERIZATION MEISTER JOHN J (US) 1997-08-12 US disclosed
US-5424382-A Decomposing lignin grafted with addition polymer MEISTER JOHN J (US) 1995-06-13 US disclosed
US-5331088-A Molding materials MEISTER JOHN J (US) 1994-07-19 US disclosed