⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29132417 | 0.96 | — | — | |
| Fluoride SCHEMBL7190205 | 0.96 | — | — | |
| SCHEMBL249117 | 0.83 | — | — | |
| SCHEMBL26348120 | 0.80 | — | — | |
| SCHEMBL4427911 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11623212 | 0.80 | — | — | |
| Bicarbonate SCHEMBL28226829 | 0.78 | ALDH1A1 (0.47) | — | |
| Pivalate SCHEMBL5462345 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL11072459 | 0.78 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL11001675 | 0.78 | ALDH1A1 (0.42) | — |
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 678 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122080041-A | Negative photoresist composition and application thereof | — | 2026-05-26 | — | — | CN | claimed |
| CN-118580137-B | Liquid cooling working medium and preparation method and application thereof | 武汉肯达科讯科技有限公司 | 2025-02-18 | — | — | CN | claimed |
| CN-115819277-B | Perfluoro-iso-benzene preparation method of butyronitrile | 浙江诺亚氟化工有限公司 | 2024-09-17 | — | — | CN | claimed |
| CN-118580137-A | Liquid cooling working medium and preparation method and application thereof | 武汉肯达科讯科技有限公司 | 2024-09-03 | — | — | CN | claimed |
| CN-118480003-A | Preparation method of fluoroalkylated quinoline diketone compound | 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) | 2024-08-13 | — | — | CN | claimed |
| CN-118431475-A | Carbon-based positive electrode material, preparation method thereof and double-ion battery | 中国科学院深圳先进技术研究院 | 2024-08-02 | — | — | CN | claimed |
| US-20230174457-A1 | INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF | UNIV IOWA STATE RES FOUND INC (US) | 2023-06-08 | — | — | US | claimed |
| CN-115819277-A | Preparation method of perfluoroisobutyronitrile | 浙江诺亚氟化工有限公司 | 2023-03-21 | — | — | CN | claimed |
| CN-213726393-U | Preparation device of heptafluoro-isobutanol | 天津长芦新材料研究院有限公司 | 2021-07-20 | — | — | CN | claimed |
| CN-111978147-A | Preparation method of heptafluoro-isobutanol | 天津长芦新材料研究院有限公司 | 2020-11-24 | — | — | CN | claimed |
| WO-2010005697-A2 | 18F-LABELLED THREE-AND FOUR-CARBON ACIDS FOR PET IMAGING | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2010-01-14 | — | — | WO | claimed |
| US-6437174-B1 | By reaction of the corresponding 2-hydroxyisobutyric acid ester with hydrofluoric acid at suitable temperature with little methacrylate byproduct; intermediate for reaction with a biquanide precursor to form a triazine herbicide | HOECHST SCHERING AGREVO GMBH (DE) | 2002-08-20 | — | — | US | claimed |
| EP-0912489-B1 | METHOD FOR PRODUCING 2-FLUORO-ISO BUTYRIC ACID ESTERS | AVENTIS CROPSCIENCE GMBH (DE) | 2001-06-13 | — | — | EP | claimed |
| EP-0506059-B1 | Process for producing 2-fluoroisobutyric acid ester | IDEMITSU KOSAN CO (JP) | 1998-07-29 | — | — | EP | claimed |
| US-5750778-A | FLUOROALKANOIC ACIDS AND DERIVATIVES | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | claimed |
| EP-0645365-B1 | PROCESS FOR PRODUCING 2-FLUOROISOBUTYRIC ACID OR ESTER THEREOF | IDEMITSU KOSAN CO (JP) | 1997-09-10 | — | — | EP | claimed |
| US-5527954-A | REACTING 2-HYDROXYISOBUTYRIC ACID OR ITS ESTER WITH THIONYLCHLORIDE AND HYDROGEN FLUORIDE SOURCE | IDEMITSU KOSAN CO., LTD. (JP) | 1996-06-18 | — | — | US | claimed |
| EP-0468681-B1 | Alfa-fluorocarboxylic acid derivatives as intermediates for the preparation of fungicides | ZENECA LTD (GB) | 1995-05-24 | — | — | EP | claimed |
| EP-0645365-A1 | PROCESS FOR PRODUCING 2-FLUOROISOBUTYRIC ACID OR ESTER THEREOF | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1995-03-29 | — | — | EP | claimed |
| EP-0468681-A1 | Alfa-fluorocarboxylic acid derivatives as intermediates for the preparation of fungicides | ZENECA LIMITED (GB) | 1992-01-29 | — | — | EP | claimed |