⚠ 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL11608371 | 0.91 | ALDH1A1 (0.35) | — | |
| Chloromethane SCHEMBL28462365 | 0.78 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.78 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL20503401 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL10871026 | 0.78 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL282 | 0.78 | — | — | |
| SCHEMBL434958 | 0.78 | — | — | |
| SCHEMBL6799285 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL437564 | 0.78 | — | — | |
| Tert-Butanol SCHEMBL3628777 | 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116351433-A | Shaped catalyst for selective oxidation of isobutene/tertiary butanol and preparation method thereof | 中国石油化工股份有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-116351433-A | Shaped catalyst for selective oxidation of isobutene/tertiary butanol and preparation method thereof | 中国石油化工股份有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-218793956-U | Methyl methacrylate separation and purification device | 中石化南京工程有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-115814452-A | Methyl methacrylate separation and purification method and device | 中石化南京工程有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-114054100-B | Preparation and application of doped composite oxide catalyst | 中国科学院过程工程研究所 | 2023-01-10 | — | — | CN | disclosed |
| CN-112844191-B | Continuous production equipment for preparing p-tert-butylphenol | 淄博旭佳化工有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-115260015-A | Method for preparing methacrolein and methacrylic acid | 中国石油化工股份有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-112844191-B | Continuous production equipment for preparing p-tert-butylphenol | 淄博旭佳化工有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-112452333-B | Nano gold catalyst, preparation method and application thereof | 上海华谊（集团）公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-114054100-A | Preparation and application of doped composite oxide catalyst | 中国科学院过程工程研究所 | 2022-02-18 | — | — | CN | disclosed |
| CN-106040282-B | SO for catalyzing synthesis of tert-butyl carboxylate from isobutene and carboxylic acid 3H-SBA-15 moleculeSieve catalyst, preparation method and application thereof | 南京工业大学 | 2018-12-14 | — | — | CN | disclosed |
| CN-108129315-A | A kind of method and application that formaldehyde and methanol are removed from the logistics containing carboxylate | 万华化学集团股份有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-108057458-A | It is a kind of for catalyst of synthesizing methyl tertbutyl ether and its preparation method and application | 中国石化扬子石油化工有限公司 | 2018-05-22 | — | — | CN | disclosed |
| CN-106699560-A | Separation device and separation method of material flow containing methyl methacrylate | 上海浦景化工技术股份有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-105175211-B | Device and method for preparing high-purity isobutene through tert-butyl alcohol dehydration by means of catalytic distillation structured packing | 中建安装工程有限公司 | 2017-03-22 | — | — | CN | disclosed |
| WO-2015117094-A1 | COMPOSITIONS AND METHODS FOR SYNTHESIZING (2S,3S)-TRANS-EPOXYSUCCINYL-L-LEUCYL-AMIDO-3-METHYLBUTANE ETHYL ESTER | AMERICAN LIFE SCIENCE PHARMACEUTICALS, INC. (US) | 2015-08-06 | — | — | WO | disclosed |
| EP-2756082-A1 | MICROORGANISMS AND METHODS FOR PRODUCING ALKENES | Genomatica, Inc. (US) | 2014-07-23 | — | — | EP | disclosed |
| WO-2013040383-A1 | MICROORGANISMS AND METHODS FOR PRODUCING ALKENES | GENOMATICA, INC. (US) | 2013-03-21 | — | — | WO | disclosed |
| EP-2336340-A1 | Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step | Marliere, Philippe (FR) | 2011-06-22 | — | — | EP | disclosed |
| EP-2336341-A1 | Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step | Marliere, Philippe (FR) | 2011-06-22 | — | — | EP | disclosed |