⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5881214 | 0.96 | CYP1A2 (0.57) | — | |
| Cyclohexane SCHEMBL27346912 | 0.94 | CYP1A2 (0.55) | — | |
| Benzene SCHEMBL27332617 | 0.94 | CYP1A2 (0.55) | — | |
| SCHEMBL1364855 | 0.93 | CYP1A2 (0.59) | — | |
| SCHEMBL1366491 | 0.91 | CYP1A2 (0.57) | — | |
| SCHEMBL1364872 | 0.91 | CYP1A2 (0.57) | — | |
| SCHEMBL1363140 | 0.91 | CYP1A2 (0.57) | — | |
| SCHEMBL6080088 | 0.91 | CYP1A2 (0.57) | — | |
| SCHEMBL1365271 | 0.91 | CYP1A2 (0.57) | — | |
| SCHEMBL28902452 | 0.86 | DGKA (0.62) | — |
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 423 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116338015-B | Detection method of ethyl 4-bromobutyrate related substances | 成都倍特药业股份有限公司 | 2025-05-16 | — | — | CN | claimed |
| CN-116356085-B | Aliphatic synthetic tanning agent containing hexabasic carbonyl and preparation method and application thereof | 南京工业大学 | 2024-08-16 | — | — | CN | claimed |
| CN-113980117-B | Fenpyroximate antigen and preparation method and application thereof | 西南大学 | 2024-07-12 | — | — | CN | claimed |
| CN-118307525-A | Iridoid compound, preparation method thereof, pharmaceutical composition and application thereof | 安徽中医药大学 | 2024-07-09 | — | — | CN | claimed |
| CN-113480521-B | Full synthesis method of bepotastine besilate | 成都丽凯手性技术有限公司 | 2024-04-16 | — | — | CN | claimed |
| CN-117820460-A | Methoxypiperidine ethyl antigen and preparation method and application thereof | 西南大学 | 2024-04-05 | — | — | CN | claimed |
| CN-116334320-B | Aliphatic synthetic tanning agent containing multifunctional groups and preparation method and application thereof | 南京工业大学 | 2024-02-13 | — | — | CN | claimed |
| CN-114560834-B | Spirodiclofen hapten, antigen and antibody as well as preparation methods and applications thereof | 西南大学 | 2024-02-09 | — | — | CN | claimed |
| CN-117510358-A | Preparation method of spilanthol (2E, 6Z, 8E) -N-isobutyl-2, 6, 8-decyltrienamide | 江苏宁录科技股份有限公司 | 2024-02-06 | — | — | CN | claimed |
| CN-116623020-A | Method for extracting and separating rare earth lanthanum and yttrium by utilizing hydrophobic guanidyl ionic liquid | 贵州红星电子材料有限公司 | 2023-08-22 | — | — | CN | claimed |
| CN-105622444-A | Preparation method for 1-benzyl-3-piperidone hydrochloride | CHONGQING WEIPENG PHARMACEUTICAL CO LTD | 2016-06-01 | — | — | CN | claimed |
| 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 | claimed |
| 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 | claimed |
| US-6583260-B2 | Such as 2-(N,N-dimethylaminomethyl)-1,3- butadiene); for use in adhesives, sealants, surfactants, elastomers, ionomers, coatings and membranes | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2003-06-24 | — | — | US | claimed |
| 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 | claimed |
| US-20020151673-A1 | Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation | SHEARES VALERIE V (US) | 2002-10-17 | — | — | US | claimed |
| 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 | claimed |
| 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 | claimed |
| US-4471065-A | MODIFIED WITH AN ELCTRON DONOR | NORTHERN PETROCHEMICAL COMPANY (US) | 1984-09-11 | — | — | US | claimed |
| US-3962188-A | LINEAR POLYESTERS BASED ON PHENYLISOCYANURATE AND PROCESSES FOR PREPARING SAME | ARMSTRONG CORK COMPANY (US) | 1976-06-08 | — | — | US | claimed |