SCHEMBL490886

SCHEMBL490886

CCC(CO)S(=O)(=O)O.[NaH]

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TP53 P04637 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
SCHEMBL490947 0.97
SCHEMBL128775 0.86 TP53 (0.31) TP53
Allyl Alcohol SCHEMBL27640098 0.84 TSHR (0.38)
SCHEMBL16146089 0.83 TP53 (0.38) TP53
SCHEMBL329520 0.83
Hydrochloric Acid SCHEMBL28792672 0.80 TP53 (0.31) TP53
SCHEMBL270129 0.80
SCHEMBL14955502 0.78 TP53 (0.30) TP53
SCHEMBL11681921 0.78 TP53 (0.35) TP53
SCHEMBL16146263 0.77 TP53 (0.38) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20120094890-A1 Process Compositions and Production of Acyl Alkylisethionate Compositions HUNTSMAN PETROCHEMICAL LLC (US) 2012-04-19 US disclosed
US-8105993-B2 Process compositions and production of acyl alkylisethionate compositions HUNTSMAN PETROCHEMICAL LLC (US) 2012-01-31 US disclosed
US-20110257072-A1 NOVEL ACYLALKYLISETHIONATE ESTERS AND APPLICATIONS IN CONSUMER PRODUCTS INDORAMA VENTURES OXIDES LLC 2011-10-20 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
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 (3 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-20110257072-A1 NOVEL ACYLALKYLISETHIONATE ESTERS AND APPLICATIONS IN CONSUMER PRODUCTS AGPAT5, AGPAT2, TST TP53 3730/4885
US-20100215610-A1 PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS FADS1, ABHD5, AGPAT5 TP53 4582/4885
US-20080234159-A1 Novel Acylalkylisethionate Esters and Applications in Consumer Products ABHD5, AGPAT5, FADS1 TP53 3789/4885

“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.