SCHEMBL491097

SCHEMBL491097

CCOS(=O)(=O)CCO.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.31
PPARD Q03181 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
SCHEMBL490836 0.97
SCHEMBL9859203 0.83 CA2 (0.39) CA1CA2ALDH1A1
Ammonia Solution, Strong SCHEMBL27857308 0.81 CA2 (0.37) CA1CA2ALDH1A1
SCHEMBL778781 0.81 CA1 (0.50) CA1CA2ALDH1A1
SCHEMBL8519026 0.79 CA12 (0.31) CA1CA2
SCHEMBL21808780 0.79 CA1 (0.43) CA1CA2
SCHEMBL28363466 0.78 CA1 (0.46) CA1CA2
Ammonia Solution, Strong SCHEMBL27967329 0.76 CA1 (0.44) CA1CA2
SCHEMBL3259688 0.76 CA1 (0.50) CA1CA2ALDH1A1
SCHEMBL778055 0.76 CA1 (0.46) CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580723-B2 Process compositions and production of acyl alkylisethionate compositions HUNTSMAN PETROCHEMICAL LLC (US) 2013-11-12 US claimed
US-20120094890-A1 Process Compositions and Production of Acyl Alkylisethionate Compositions HUNTSMAN PETROCHEMICAL LLC (US) 2012-04-19 US claimed
EP-2021445-A2 PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS Huntsman Petrochemical Corporation (US) 2009-02-11 EP claimed
WO-2007130390-A2 PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2007-11-15 WO claimed
EP-1706476-B1 NOVEL ACYLALKYLISETHIONATE ESTERS AND APPLICATIONS IN CONSUMER PRODUCTS HUNTSMAN PETROCHEMICAL LLC (US) 2018-01-10 EP disclosed
US-9598358-B2 Acylalkylisethionate esters and applications in consumer products HUNTSMAN PETROCHEMICAL LLC (US) 2017-03-21 US disclosed
CN-103288686-B The preparation of acyl isethionate ester composition and production method HUNTSMAN SPEC CHEM CORP. (US) 2015-11-18 CN disclosed
US-8580723-B2 Process compositions and production of acyl alkylisethionate compositions HUNTSMAN PETROCHEMICAL LLC (US) 2013-11-12 US disclosed
EP-2021445-B1 PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS HUNTSMAN PETROCHEMICAL LLC (US) 2013-10-02 EP disclosed
CN-103288686-A Preparation and production method of acyl alkyl isethionate composition HUNTSMAN SPEC CHEM CORP 2013-09-11 CN disclosed
CN-101466819-B Process for preparing acylalkylisethionate ester compositions and process for producing same HUNTSMAN SPEC CHEM CORP 2013-05-01 CN disclosed
US-20120094890-A1 Process Compositions and Production of Acyl Alkylisethionate Compositions HUNTSMAN PETROCHEMICAL LLC (US) 2012-04-19 US disclosed
US-8008239-B2 reacting bisulfites with alkylene oxides to form alkyl-substituted hydroxyalkyl sulfonates, which react with carboxylic acids under esterification conditions to form acylalkylisethionate esters, used as cleaning compounds HUNTSMAN PETROCHEMICAL LLC (US) 2011-08-30 US disclosed
US-20100215610-A1 PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2010-08-26 US disclosed
CN-101466819-A Process for preparing acylalkylisethionate ester compositions and process for producing same HUNTSMAN SPEC CHEM CORP (US) 2009-06-24 CN disclosed
EP-2021445-A2 PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS Huntsman Petrochemical Corporation (US) 2009-02-11 EP disclosed
US-20080234159-A1 Novel Acylalkylisethionate Esters and Applications in Consumer Products HUNTSMAN PETROCHEMICAL CORPORATION (US) 2008-09-25 US disclosed
WO-2007130390-A2 PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2007-11-15 WO disclosed
EP-1706476-A1 NOVEL ACYLALKYLISETHIONATE ESTERS AND APPLICATIONS IN CONSUMER PRODUCTS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2006-10-04 EP disclosed
WO-2005075623-A1 NOVEL ACYLALKYLISETHIONATE ESTERS AND APPLICATIONS IN CONSUMER PRODUCTS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2005-08-18 WO 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 (2 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-20100215610-A1 PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS FADS1, ABHD5, AGPAT5 CA1 3341/4885CA2 2837/4885ALDH1A1 1386/4885
US-20080234159-A1 Novel Acylalkylisethionate Esters and Applications in Consumer Products ABHD5, AGPAT5, FADS1 CA1 4746/4885CA2 4208/4885ALDH1A1 296/4885

“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.