SCHEMBL1027231

SCHEMBL1027231

COS(=O)(=O)[O-].C[N+](C)(C)Cc1ccccc1

nearest known ligand 0.61

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 2/20 0.38
CHRM1 known ✓ P11229 1/20 0.38
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
BCHE P06276 2/20 0.38
CHRM2 P08172 1/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL11771688 0.89 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1LMNAPOLB
SCHEMBL1507229 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1POLBCHRNB2
SCHEMBL3895000 0.89 LMNA (0.47) ALDH1A1KDM4ETDP1LMNAPOLB
Sulfuric Acid SCHEMBL229799 0.88 KDM4E (0.71) ALDH1A1KDM4ETDP1POLBCHRNB2
SCHEMBL332134 0.86 KDM4E (0.68) ALDH1A1KDM4ETDP1POLBCHRNB2
Sulfuric Acid SCHEMBL7637635 0.86 KDM4E (0.68) ALDH1A1KDM4ETDP1POLBCHRNB2
Sulfuric Acid SCHEMBL2243812 0.86 KDM4E (0.68) ALDH1A1KDM4ETDP1POLBCHRNB2
Thiosulfuric Acid SCHEMBL8424190 0.85 KDM4E (0.65) ALDH1A1KDM4ETDP1POLBCHRNB2
Sulfuric Acid SCHEMBL229801 0.85 KDM4E (0.65) ALDH1A1KDM4ETDP1LMNAPOLB
SCHEMBL330944 0.85 KDM4E (0.65) ALDH1A1KDM4ETDP1POLBCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185734-A1 Method for reducing or avoiding alkali-aggregate reaction in set concrete WACKER CHEMIE AG (DE) 2022-06-16 US disclosed
EP-3947314-A1 METHOD FOR REDUCING OR AVOIDING ALKALI-AGGREGATE REACTION IN SET CONCRETE Wacker Chemie AG (DE) 2022-02-09 EP disclosed
CN-113574031-A Method for reducing or avoiding alkali-aggregate reactions in set concrete 瓦克化学股份公司 2021-10-29 CN disclosed
US-10882960-B2 Method for the hydrophobic impregnation of fired ceramic molded bodies WACKER CHEMIE AG (DE) 2021-01-05 US disclosed
WO-2020192916-A1 METHOD FOR REDUCING OR AVOIDING ALKALI-AGGREGATE REACTION IN SET CONCRETE WACKER CHEMIE AG (DE) 2020-10-01 WO disclosed
EP-3619274-B1 AQUEOUS DISPERSIONS OF ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2020-09-09 EP disclosed
EP-3619274-A1 AQUEOUS DISPERSIONS OF ORGANOSILICON COMPOUNDS Wacker Chemie AG (DE) 2020-03-11 EP disclosed
US-10584244-B2 Aqueous dispersions of organosilicon compounds WACKER CHEMIE AG (DE) 2020-03-10 US disclosed
EP-3452173-B1 AQUEOUS EMULSIONS CONTAINING AMINO-FUNCTIONAL ORGANOPOLYSILOXANES AND NON-IONIC EMULSIFIERS WACKER CHEMIE AG (DE) 2019-10-23 EP disclosed
CN-107223151-B Aqueous dispersions of organosilicon compounds 瓦克化学股份公司 2019-07-05 CN disclosed
US-8907011-B2 Aqueous dispersions of organosilicon compounds WACKER CHEMIE AG (DE) 2014-12-09 US disclosed
WO-2014019878-A1 NON-FILM-FORMING FORMULATIONS BASED ON ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2014-02-06 WO disclosed
US-20140020600-A1 AQUEOUS DISPERSIONS OF ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2014-01-23 US disclosed
US-8449666-B2 Aqueous dispersions of organosilicon compounds WACKER CHEMIE AG (DE) 2013-05-28 US disclosed
EP-2065431-B1 Aqueous Dispersions of Organosilicon Compounds WACKER CHEMIE AG (DE) 2011-01-19 EP disclosed
US-20090139434-A1 AQUEOUS DISPERSIONS OF ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2009-06-04 US disclosed
EP-2065431-A1 Aqueous Dispersions of Organosilicon Compounds Wacker Chemie AG (DE) 2009-06-03 EP disclosed
EP-1554327-B1 CELLULAR POLYURETHANE ELASTOMERS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF BAYER MATERIALSCIENCE AG (DE) 2008-03-26 EP disclosed
US-20040077740-A1 Cellular polyurethane elastomers, a process for preparing these and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-04-22 US disclosed
US-4771066-A 4-haloalkylthio-5-amino-1-arylpyrazoles, composition containing them, and insecticidal and acaricidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 US disclosed