⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5273399 | 0.74 | — | — | |
| SCHEMBL2744382 | 0.74 | — | — | |
| SCHEMBL888909 | 0.74 | — | — | |
| SCHEMBL888915 | 0.74 | — | — | |
| SCHEMBL1381458 | 0.73 | — | — | |
| SCHEMBL28488382 | 0.73 | TRPA1 (0.30) | — | |
| SCHEMBL10297559 | 0.72 | — | — | |
| SCHEMBL11828205 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL7128934 | 0.72 | — | — | |
| SCHEMBL7856591 | 0.67 | — | — |
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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109642184-A | Product including plastic containers and composition of matter | 西姆莱斯有限公司 | 2019-04-16 | — | — | CN | claimed |
| EP-2652050-B1 | WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS | EASTMAN CHEM CO (US) | 2018-10-17 | — | — | EP | claimed |
| EP-2133102-B1 | Odor reducers | SYMRISE AG (DE) | 2014-12-03 | — | — | EP | claimed |
| EP-0675141-B2 | Copolymer compositions containing hydroxyl functional (meth)acrylates and hydroxyalkyl carbamate (meth)acrylates and mixtures thereof | UNION CARBIDE CHEM PLASTIC (US) | 2004-09-29 | — | — | EP | claimed |
| EP-0675141-B1 | Copolymer compositions containing hydroxyl functional (meth)acrylates and hydroxyalkyl carbamate (meth)acrylates and mixtures thereof | UNION CARBIDE CHEM PLASTIC (US) | 1998-06-03 | — | — | EP | claimed |
| EP-0305965-B1 | PROCESS FOR PREPARING ESTERS OF UNSATURATED ALCOHOLS | UNION CARBIDE CORPORATION (US) | 1992-09-02 | — | — | EP | claimed |
| EP-0188325-B1 | PROCESS FOR MAKING POLYMER PARTICLES, POLYMER PARTICLES AND THEIR USE | ROHM AND HAAS COMPANY (US) | 1992-07-22 | — | — | EP | claimed |
| US-4970334-A | DEHYDRATION OF SATURATED ESTERS WITH ACID CATALYSTS | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) | 1990-11-13 | — | — | US | claimed |
| EP-0305965-A1 | Process for preparing esters of unsaturated alcohols | UNION CARBIDE CORPORATION (US) | 1989-03-08 | — | — | EP | claimed |
| WO-2024070637-A1 | LASER MARKING COMPOSITION, RESIN FILM, AND LAMINATE | 日本カーバイド工業株式会社 | 2024-04-04 | — | — | WO | disclosed |
| WO-2024070636-A1 | LASER MARKING COMPOSITION, RESIN FILM, AND LAMINATE | 日本カーバイド工業株式会社 | 2024-04-04 | — | — | WO | disclosed |
| EP-4266840-A1 | WIRING BOARD | Toray Industries, Inc. (JP) | 2023-10-25 | — | — | EP | disclosed |
| US-20230309217-A1 | WIRING BOARD | TORAY INDUSTRIES, INC. (JP) | 2023-09-28 | — | — | US | disclosed |
| CN-115052942-B | Resin composition for coating polyolefin substrate | 日本电石工业株式会社 | 2023-04-18 | — | — | CN | disclosed |
| US-5006585-A | Hydroxy ester compounds, stain resistance, vinyl chloride polymers | HULS AMERICA INC. (US) | 1991-04-09 | — | — | US | disclosed |
| EP-0416822-A2 | Stain-resistant plasticizer compositions and method of making same | VELSICOL CHEMICAL CORPORATION (US) | 1991-03-13 | — | — | EP | disclosed |
| US-4420586-A | IN ORGANIC SOLVENT WITH TWO LABILE HYDROGEN ATOMS, HYDROXY GROUP, AND TERTIARY CARBON ATOM | NALCO CHEMICAL COMPANY (US) | 1983-12-13 | — | — | US | disclosed |
| US-4402985-A | 4-ISOPROPYL-5,5-DIMETHYL-M-DIOXAN-2-ONE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-09-06 | — | — | US | disclosed |
| EP-0005471-B1 | PROCESS FOR THE PREPARATION OF 2,2,4-TRIMETHYL-3-HYDROXYPENTYL-ISOBUTYRATE | BASF Aktiengesellschaft (DE) | 1981-09-09 | — | — | EP | disclosed |
| EP-0005471-A2 | Process for the preparation of 2,2,4-trimethyl-3-hydroxypentyl-isobutyrate | BASF Aktiengesellschaft (DE) | 1979-11-28 | — | — | EP | disclosed |