⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL8160191 | 0.89 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL6 | 0.89 | — | — | |
| Ether SCHEMBL9248674 | 0.89 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL21406 | 0.89 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.89 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL28117992 | 0.86 | — | — | |
| Ether SCHEMBL3653511 | 0.84 | — | — | |
| Ether SCHEMBL9448930 | 0.84 | ALDH1A1 (0.44) | — | |
| Ether SCHEMBL8391342 | 0.84 | — | — | |
| Ether SCHEMBL11883416 | 0.84 | — | — |
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 384 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124497-B | Preparation method of Mollanol A | 兰州大学 | 2023-05-30 | — | — | CN | claimed |
| CN-115124497-A | Preparation method of Mollanol A | 兰州大学 | 2022-09-30 | — | — | CN | claimed |
| CN-110950774-B | Protein quantitative marking reagent and preparation method and application thereof | 北京大学 | 2021-04-13 | — | — | CN | claimed |
| CN-111484573-A | Method for synthesizing olefin polymerization catalyst | 安徽敦茂新材料科技有限公司 | 2020-08-04 | — | — | CN | claimed |
| CN-110950774-A | Protein quantitative marking reagent and preparation method and application thereof | 北京大学 | 2020-04-03 | — | — | CN | claimed |
| CN-108993487-B | It is catalyzed nitrogen under a kind of room temperature and hydrogen generates the method for preparing catalyst of ammonia | 天津大学 | 2019-10-15 | — | — | CN | claimed |
| CN-109608400-A | A kind of synthetic method of dexmedetomidine hydrochloride | 辰欣药业股份有限公司 | 2019-04-12 | — | — | CN | claimed |
| CN-108993487-A | It is catalyzed nitrogen under a kind of room temperature and hydrogen generates the method for preparing catalyst of ammonia | 天津大学 | 2018-12-14 | — | — | CN | claimed |
| CN-104072407-B | A kind of preparation method of Rho kinase inhibitor Y27632 compound | Suzhou Kai Rui Pharmaceutical Technology Co., Ltd (CN) | 2016-01-20 | — | — | CN | claimed |
| CN-104072407-A | Preparation method of Rho kinase inhibitor Y27632 compound | SUZHOU KAIRUI MEDICINE SCIENCE & TECHNOLOGY CO LTD | 2014-10-01 | — | — | CN | claimed |
| CN-115232175-B | Fluorine-containing quasi-C2 symmetrical silicon bridged metallocene complex and application thereof | 山东金诚石化集团有限公司 | 2024-06-14 | — | — | CN | disclosed |
| EP-4052760-B1 | PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME | FUJIFILM CORP (JP) | 2024-03-13 | — | — | EP | disclosed |
| CN-117343108-A | Organic electroluminescent material and device | 环球展览公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-114315834-B | Imidazolone derivatives and their use in medicine | 成都百裕制药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-111909216-B | Organic electroluminescent material and device | 环球展览公司 | 2023-12-05 | — | — | CN | disclosed |
| CN-87100686-A | 3-alkoxyl group-2-aminopropylamines as cardiovascular agents | — | 1987-10-14 | — | — | CN | disclosed |
| CN-85106995-A | Process for preparing new steroids substituted in the ten position by groups containing double or triple bonds | — | 1987-04-01 | — | — | CN | disclosed |
| CN-86104664-A | The hero-1 that replaces, 4-diene-3, the method for making of 17-cyclohexadione compounds | — | 1987-02-18 | — | — | CN | disclosed |
| CN-86100954-A | The preparation method of therapeutical agent and application | — | 1986-09-03 | — | — | CN | disclosed |
| US-4016269-A | 17α-HYDROXY-1,3,5(10),15-ESTRATETRAENES AND PROCESS FOR THEIR PRODUCTION | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-04-05 | — | — | US | disclosed |