⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL491097 | 0.97 | CA1 (0.40) | — | |
| SCHEMBL9859203 | 0.85 | CA2 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL27857308 | 0.83 | CA2 (0.37) | — | |
| SCHEMBL778781 | 0.83 | CA1 (0.50) | — | |
| SCHEMBL28363466 | 0.80 | CA1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL27967329 | 0.78 | CA1 (0.44) | — | |
| SCHEMBL952969 | 0.78 | — | — | |
| SCHEMBL778055 | 0.78 | CA1 (0.46) | — | |
| SCHEMBL29104747 | 0.78 | CA2 (0.46) | — | |
| SCHEMBL28032273 | 0.78 | — | — |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8580723-B2 | Process compositions and production of acyl alkylisethionate compositions | HUNTSMAN PETROCHEMICAL LLC (US) | 2013-11-12 | — | — | US | claimed |
| EP-2021445-B1 | PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS | HUNTSMAN PETROCHEMICAL LLC (US) | 2013-10-02 | — | — | EP | 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 |
| US-4571309-A | REACTING AMMONIUM ISETHIONATE ALCOHOL WITH CYCLOALIPHATIC TRICARBOXYLIC ACID | WESTVACO CORPORATION (US) | 1986-02-18 | — | — | US | claimed |
| CN-107253926-B | Glycoside compound, method for producing thioether, ether, method for producing ether, glycoside compound, and method for producing nucleic acid | 株式会社博纳克 | 2019-10-25 | — | — | CN | disclosed |
| EP-2994198-B1 | HAIR TREATMENT COMPOSITION | UNILEVER NV (NL) | 2019-06-05 | — | — | EP | disclosed |
| US-10265257-B2 | Personal care composition | INNOSPEC LIMITED (GB) | 2019-04-23 | — | — | US | disclosed |
| US-20180104169-A1 | COMPOSITION | INNOSPEC LTD (GB) | 2018-04-19 | — | — | US | disclosed |
| EP-1706476-B1 | NOVEL ACYLALKYLISETHIONATE ESTERS AND APPLICATIONS IN CONSUMER PRODUCTS | HUNTSMAN PETROCHEMICAL LLC (US) | 2018-01-10 | — | — | EP | disclosed |
| US-9833396-B2 | Personal care composition | INNOSPEC LIMITED (GB) | 2017-12-05 | — | — | US | disclosed |
| US-20170095411-A1 | PERSONAL CARE COMPOSITION | INNOSPEC LIMITED (GB) | 2017-04-06 | — | — | US | disclosed |
| WO-2007130390-A2 | PROCESS COMPOSITIONS AND PRODUCTION OF ACYL ALKYLISETHIONATE COMPOSITIONS | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2007-11-15 | — | — | WO | disclosed |
| CN-1906288-A | Novel acyl alkyl isethionates and use in consumer products | HUNTSMAN SPEC CHEM CORP (US) | 2007-01-31 | — | — | CN | 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 |
| CN-1612722-A | Compositions comprising enzymes stabilized with certain osmoprotectants and methods of using such compositions for personal care | PROCTER & GAMBLE (US) | 2005-05-04 | — | — | CN | disclosed |
| US-4618400-A | PULPING, ADDING THIOL ETHOXYLATE, AND BLEACHING | SHELL OIL COMPANY (US) | 1986-10-21 | — | — | US | disclosed |
| US-4571309-A | REACTING AMMONIUM ISETHIONATE ALCOHOL WITH CYCLOALIPHATIC TRICARBOXYLIC ACID | WESTVACO CORPORATION (US) | 1986-02-18 | — | — | US | disclosed |