⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11698694 | 0.82 | — | — | |
| SCHEMBL28263960 | 0.82 | — | — | |
| SCHEMBL5164012 | 0.68 | — | — | |
| SCHEMBL4412928 | 0.68 | — | — | |
| SCHEMBL4722781 | 0.68 | — | — | |
| SCHEMBL442730 | 0.67 | DDB1 (0.40) | — | |
| SCHEMBL9350812 | 0.65 | — | — | |
| SCHEMBL9354666 | 0.65 | — | — | |
| SCHEMBL12819582 | 0.65 | — | — | |
| SCHEMBL12462036 | 0.65 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4293579-A | Flavoring with 3,5-di-(2-methylpropyl)-1,2,4-trithiolane | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-10-06 | — | — | US | claimed |
| US-4041186-A | ADJUVANTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-09 | — | — | US | claimed |
| US-4031256-A | ORGANOLEPTIC, NUTTY TASTE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-06-21 | — | — | US | claimed |
| US-3985908-A | 3-Furyl sulfides and foodstuff flavor compositions comprising same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-10-12 | — | — | US | claimed |
| CN-109288021-A | A kind of beef flavour perfume base and the beef flavor using perfume base preparation | 宁夏春升源生物科技有限公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-108968004-A | A kind of thermostable microcapsule beef flavor and preparation method thereof | 漯河双汇生物工程技术有限公司 | 2018-12-11 | — | — | CN | disclosed |
| EP-1276391-B1 | ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME | BUSH BOAKE ALLEN INC (US) | 2007-03-07 | — | — | EP | disclosed |
| EP-1276391-A4 | ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME | BUSH BOAKE ALLEN INC (US) | 2005-11-09 | — | — | EP | disclosed |
| US-6899911-B2 | Ethyl 4-(thioacetoxy)butyrate as a flavoring agent and methods for preparing and using same | INTERNATIONAL FLAVORS & FRAGRANCES, INC. | 2005-05-31 | — | — | US | disclosed |
| EP-1276391-A1 | ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME | Bush Boake Allen Inc. (US) | 2003-01-22 | — | — | EP | disclosed |
| US-20020090435-A1 | Ethyl 4-(thioacetoxy)butyrate as a flavoring agent and methods for preparing and using same | BUSH BOAKE ALLEN INC. | 2002-07-11 | — | — | US | disclosed |
| WO-2001076389-A1 | ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME | BUSH BOAKE ALLEN INC. (US) | 2001-10-18 | — | — | WO | disclosed |
| US-4263331-A | FOODS, HAZELNUT | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-04-21 | — | — | US | disclosed |
| US-4259507-A | ROAST PORK FLAVOR | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-03-31 | — | — | US | disclosed |
| US-4041186-A | ADJUVANTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-09 | — | — | US | disclosed |
| US-4031256-A | ORGANOLEPTIC, NUTTY TASTE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-06-21 | — | — | US | disclosed |
| US-4020175-A | MEAT AROMA AND FLAVOR | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-04-26 | — | — | US | disclosed |
| US-4007287-A | Flavoring with (allyl)(2-methyl-3-furyl) sulfide | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-02-08 | — | — | US | disclosed |
| US-3988510-A | 3-Furyl sulfides and foodstuff flavor compositions comprising same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-10-26 | — | — | US | disclosed |
| US-3985908-A | 3-Furyl sulfides and foodstuff flavor compositions comprising same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-10-12 | — | — | US | disclosed |