SCHEMBL444614

SCHEMBL444614

CCN(CC)CC.COS(=O)(=O)O

nearest known ligand 0.36

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 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
CA2 P00918 2/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
CA1 P00915 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL29691337 0.85 NPSR1 (0.40) NPSR1CA2TSHRUSP2CA1
Diethylaminoethanol SCHEMBL28833693 0.84 CYP1A2 (0.39) NPSR1TSHRUSP2ALDH1A1CYP2C9
SCHEMBL28108953 0.84 CYP1A2 (0.44) NPSR1USP2CYP2C9HPGDHSD17B10
N,N-Dimethylethanaminium SCHEMBL9980776 0.83 CA2 (0.33) CA2TSHRUSP2CA1TDP1
SCHEMBL10876044 0.83 NPSR1 (0.36) NPSR1CA2TSHRALDH1A1CYP2C9
SCHEMBL9436420 0.83 NPSR1 (0.36) NPSR1CA2TSHRALDH1A1CYP2C9
SCHEMBL14635334 0.82 TSHR (0.50) NPSR1CA2TSHRALDH1A1CYP2C9
Sulfuric Acid SCHEMBL78884 0.82 NPSR1 (0.46) NPSR1CA1ALDH1A1CYP2C9HPGD
Sulfuric Acid SCHEMBL11137355 0.82 NPSR1 (0.46) NPSR1CA1ALDH1A1CYP2C9HPGD
Propane SCHEMBL2200005 0.82

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
CN-114621099-A Preparation method of quaternary ammonium salt ionic liquid corrosion inhibitor 辽宁科技学院 2022-06-14 CN claimed
US-6403190-B1 Release liners for pressure sensitive adhesive labels FLEXCON COMPANY, INC. 2002-06-11 US claimed
CN-111093615-B Aqueous gelling agent-containing cleansing composition for skin or hair, aqueous gelling agent, and method for producing cleansing composition 株式会社ADEKA 2023-04-18 CN disclosed
CN-111093616-B Cosmetic composition containing aqueous gelling agent, and method for producing cosmetic composition 株式会社ADEKA 2023-02-28 CN disclosed
CN-111065373-B Hair cosmetic composition containing aqueous gelling agent, and method for producing said aqueous gelling agent and said hair cosmetic composition 株式会社ADEKA 2023-02-28 CN disclosed
CN-114621099-A Preparation method of quaternary ammonium salt ionic liquid corrosion inhibitor 辽宁科技学院 2022-06-14 CN disclosed
CN-114621099-A Preparation method of quaternary ammonium salt ionic liquid corrosion inhibitor 辽宁科技学院 2022-06-14 CN disclosed
CN-111093615-A Skin or hair cleanser composition containing aqueous gelling agent, and method for producing cleanser composition 株式会社ADEKA 2020-05-01 CN disclosed
CN-111093616-A Cosmetic composition containing aqueous gelling agent, and method for producing cosmetic composition 株式会社ADEKA 2020-05-01 CN disclosed
CN-111065373-A Hair cosmetic composition containing aqueous gelling agent, and method for producing the aqueous gelling agent and the hair cosmetic composition 株式会社ADEKA 2020-04-24 CN disclosed
US-8173583-B2 Use of cationic copolymers of amine-containing acrylates and N-vinylimidazolium salts in hair cosmetic preparations BASF SE (DE) 2012-05-08 US disclosed
US-20100179082-A1 USE OF CATIONIC COPOLYMERS OF AMINE-CONTAINING ACRYLATES AND N-VINYLIMIDAZOLIUM SALTS IN HAIR COSMETIC PREPARATIONS BASF SE (DE) 2010-07-15 US disclosed
US-7754462-B2 Enzyme catalysis in the presence of ionic liquids SOLVENT INNOVATION GMBH (DE) 2010-07-13 US disclosed
US-20080299623-A1 ENZYME CATALYSIS IN THE PRESENCE OF IONIC LIQUIDS SOLVENT INNOVATION GMBH (DE) 2008-12-04 US disclosed
US-20060211096-A1 Enzyme catalysis in the presence of ionic liquids KRAGL UDO 2006-09-21 US disclosed
EP-1332221-B1 ENZYME CATALYSIS IN THE PRESENCE OF IONIC LIQUIDS SOLVENT INNOVATION GMBH (DE) 2006-06-28 EP disclosed
CN-1165505-C Method for selective hydrolysis of acetals or ketals in presence of 2-benzo [c] furanone �����ɷ� 2004-09-08 CN disclosed
EP-1205555-A1 Enzymatic catalysis in the presence of ionic liquids Solvent Innovation GmbH (DE) 2002-05-15 EP disclosed
CN-1291969-A Process for the selective hydrolysis of acetal or ketal compounds in the presence of 2-benzo [ c ] furanone compounds BASF AG (DE) 2001-04-18 CN disclosed
US-4062796-A CATIONIC SURFACTANT, SODIUM ACRYLATE HOMOPOLYMER HALLIBURTON COMPANY (US) 1977-12-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100179082-A1 USE OF CATIONIC COPOLYMERS OF AMINE-CONTAINING ACRYLATES AND N-VINYLIMIDAZOLIUM SALTS IN HAIR COSMETIC PREPARATIONS ASS1, ACR, PADI1 NPSR1 3939/4885CA2 1363/4885TSHR 3874/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.