⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL15476613 | 0.86 | TSHR (0.46) | — | |
| Ethylene Glycol SCHEMBL2780045 | 0.84 | — | — | |
| Tert-Butanol SCHEMBL7049177 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL474820 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL3897568 | 0.79 | TSHR (0.40) | — | |
| 1,6-Hexanediol SCHEMBL27381760 | 0.79 | ALDH1A1 (0.53) | — | |
| Ethylene Glycol SCHEMBL19127955 | 0.78 | — | — | |
| Ethylene Glycol SCHEMBL28494266 | 0.78 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.78 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL788666 | 0.78 | ALDH1A1 (0.46) | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105037155-A | Batch distillation process for separating tert-butyl alcohol-methyl propionate azeotrope by mixed extractant | UNIV JINAN | 2015-11-11 | — | — | CN | claimed |
| EP-2940190-A1 | SURFACE TREATMENT COMPOSITION, METHOD FOR PRODUCING SURFACE TREATMENT COMPOSITION, METAL ARTICLE, AND METHOD FOR PRODUCING METAL ARTICLE | Hoden Seimitsu Kako Kenkyusyo Co., Ltd (JP) | 2015-11-04 | — | — | EP | claimed |
| CN-104673499-A | Method for preparing conjugated linoleic acid | FENGYI SHANGHAI BIOTECHNOLOGY R & D CT CO LTD | 2015-06-03 | — | — | CN | claimed |
| CN-110475783-A | Cationic ruthenium complex and preparation method thereof with and application thereof | TAKASAGO PERFUMERY CO LTD | 2019-11-19 | — | — | CN | disclosed |
| CN-109966179-A | Astringent composition | 太阳星光齿磨公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-108699201-A | ABA block polymer, dispersant and pigment dispensing composition | 大塚化学株式会社 | 2018-10-23 | — | — | CN | disclosed |
| CN-105981136-B | The cleaning method of its semiconductor element of titanium nitride removal liquid composition and use and the manufacturing method of semiconductor element | 三菱瓦斯化学株式会社 | 2018-09-07 | — | — | CN | disclosed |
| CN-108368201-A | Polymer, antiseptic, fungicide, anti-biotic material, sterilization material, antibiotic method and method for disinfection | JSR株式会社 | 2018-08-03 | — | — | CN | disclosed |
| EP-2940190-B1 | SURFACE TREATMENT COMPOSITION, METHOD FOR PRODUCING SURFACE TREATMENT COMPOSITION, METAL ARTICLE, AND METHOD FOR PRODUCING METAL ARTICLE | HODEN SEIMITSU KAKO KENKYUSYO CO LTD (JP) | 2018-07-11 | — | — | EP | disclosed |
| CN-105144853-B | Method for forming conductive high-definition pattern, and circuit | DIC株式会社 | 2018-07-10 | — | — | CN | disclosed |
| CN-105669369-B | A kind of tert-butyl alcohol-propyl formate azeotropic mixture extraction rectifying method | 济南大学 | 2018-07-10 | — | — | CN | disclosed |
| EP-3068436-A1 | TOPICAL PHARMACEUTICAL, COSMETIC AND DISINFECTANT COMPOSITIONS COMPRISING PHOSPHATIDYLCHOLINE | Lipidor AB (SE) | 2016-09-21 | — | — | EP | disclosed |
| CN-105669369-A | Extractive distillation method of tert-butyl alcohol-propyl formate azeotropic mixture | 济南大学 | 2016-06-15 | — | — | CN | disclosed |
| CN-105037155-A | Batch distillation process for separating tert-butyl alcohol-methyl propionate azeotrope by mixed extractant | UNIV JINAN | 2015-11-11 | — | — | CN | disclosed |
| EP-2940190-A1 | SURFACE TREATMENT COMPOSITION, METHOD FOR PRODUCING SURFACE TREATMENT COMPOSITION, METAL ARTICLE, AND METHOD FOR PRODUCING METAL ARTICLE | Hoden Seimitsu Kako Kenkyusyo Co., Ltd (JP) | 2015-11-04 | — | — | EP | disclosed |
| CN-104673499-A | Method for preparing conjugated linoleic acid | FENGYI SHANGHAI BIOTECHNOLOGY R & D CT CO LTD | 2015-06-03 | — | — | CN | disclosed |
| WO-2015072910-A1 | TOPICAL PHARMACEUTICAL, COSMETIC AND DISINFECTANT COMPOSITIONS COMPRISING PHOSPHATIDYLCHOLINE | LIPIDOR AB (SE) | 2015-05-21 | — | — | WO | disclosed |
| US-20030100769-A1 | Cyclic amidine compounds | DAIICHI SUNTORY PHARMA CO., LTD. (JP) | 2003-05-29 | — | — | US | disclosed |
| EP-1280793-A2 | CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | SUNTORY LIMITED (JP) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001081334-A2 | CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | SUNTORY LIMITED (JP) | 2001-11-01 | — | — | WO | disclosed |