⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28477239 | 0.97 | CA2 (0.37) | — | |
| Methane SCHEMBL778684 | 0.97 | CA2 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL3177534 | 0.97 | CA2 (0.37) | — | |
| SCHEMBL17456602 | 0.97 | CA2 (0.37) | — | |
| Fluoride SCHEMBL18632005 | 0.97 | CA2 (0.37) | — | |
| Ethane SCHEMBL778001 | 0.97 | CA2 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL10587587 | 0.94 | CA2 (0.35) | — | |
| Cyanide SCHEMBL28035763 | 0.91 | CA2 (0.33) | — | |
| Acetic Acid SCHEMBL28287123 | 0.91 | FFAR3 (0.39) | — | |
| Urea SCHEMBL27577071 | 0.91 | LMNA (0.33) | — |
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 214 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112574084-B | Waste liquid treatment process and device in TPO production process | 山东久日化学科技有限公司 | 2024-08-23 | — | — | CN | claimed |
| CN-115124446-B | Purification method of di-tert-butyl peroxide | 常熟市滨江化工有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-115124446-A | Purification method of di-tert-butyl peroxide | 常熟市滨江化工有限公司 | 2022-09-30 | — | — | CN | claimed |
| CN-109734062-B | Preparation method of difluorosulfonyl imide acid | 江苏华盛锂电材料股份有限公司 | 2022-02-25 | — | — | CN | claimed |
| CN-214299950-U | Waste liquid treatment device in TPO production technology | 山东久日化学科技有限公司 | 2021-09-28 | — | — | CN | claimed |
| CN-112574084-A | Waste liquid treatment process and device in TPO production process | 山东久日化学科技有限公司 | 2021-03-30 | — | — | CN | claimed |
| CN-109734062-A | A kind of preparation method of difluoro sulfimidic acid | 江苏长园华盛新能源材料有限公司 | 2019-05-10 | — | — | CN | claimed |
| US-10226404-B2 | Method for preparing antidandruff hair care compositions comprising a step of injecting antidandruff agents, perfumes and/or silicones | THE PROCTER AND GAMBLE COMPANY (US) | 2019-03-12 | — | — | US | claimed |
| CN-108658824-A | A method of preparing the mixture containing tert-butyl hydroperoxide using recycling t-butanol solution | 常熟市滨江化工有限公司 | 2018-10-16 | — | — | CN | claimed |
| CN-106380437-B | The preparation method of di-t-butyl peroxide | 江苏强盛功能化学股份有限公司 | 2018-03-20 | — | — | CN | claimed |
| CN-107615556-A | Electrolyte and metal hydride battery | 巴斯夫公司 | 2018-01-19 | — | — | CN | claimed |
| CN-106380437-A | A method of preparing di-tert-butyl peroxide | 江苏强盛功能化学股份有限公司 | 2017-02-08 | — | — | CN | claimed |
| US-9453244-B2 | Method for producing a monoalkene by enzymatic conversion of an alkyl monoester | GLOBAL BIOENERGIES (FR) | 2016-09-27 | — | — | US | claimed |
| US-20150159177-A1 | METHOD FOR PRODUCING A MONOALKENE BY ENZYMATIC CONVERSION OF AN ALKYL MONOESTER | GLOBAL BIOENERGIES (FR) | 2015-06-11 | — | — | US | claimed |
| CN-104406964-A | Formaldehyde detection reagent and preparation method thereof | DONGCHEN LEADER TESTING CO LTD | 2015-03-11 | — | — | CN | claimed |
| CN-101857563-B | Preparation method of mixture containing tert-butyl hydroperoxide | CHINASUN SPECIALTY PRODUCTS CO LTD | 2012-05-02 | — | — | CN | claimed |
| CN-101857563-A | Preparation method for mixture containing tert-butyl hydroperoxide | CHINASUN SPECIALTY PRODUCTS CO LTD | 2010-10-13 | — | — | CN | claimed |
| US-5210320-A | Reacting dimethylhexanediol with hydrogen peroxide and sulfuric acid and alcohol | PHILLIPS PETROLEUM COMPANY (US) | 1993-05-11 | — | — | US | claimed |
| CN-120365894-A | Phase-change microcapsule antibacterial material based on alkylated chitosan-polystyrene copolymer and preparation method thereof | 浙江工业大学 | 2025-07-25 | — | — | CN | disclosed |
| EP-0045425-A1 | Process for the halogenation of possibly substituted 4-tert.-butyl toluenes and the mixtures obtained therefrom of possibly substituted 4-tert.-butylbenzal halogenides, 4-tert.-butylbenzyl halogenides and 4-tert.-butylbenzo trihalogenides | BAYER AG (DE) | 1982-02-10 | — | — | EP | disclosed |