⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3233760 | 0.93 | — | — | |
| SCHEMBL14936 | 0.93 | — | — | |
| SCHEMBL4756401 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL20293763 | 0.86 | — | — | |
| Iodide SCHEMBL6295549 | 0.86 | — | — | |
| SCHEMBL4450478 | 0.86 | — | — | |
| SCHEMBL4453061 | 0.86 | — | — | |
| SCHEMBL4448802 | 0.86 | — | — | |
| SCHEMBL4444115 | 0.86 | — | — | |
| SCHEMBL4446571 | 0.86 | — | — |
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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118056806-A | Preparation method of vinyl ionol | 万华化学集团股份有限公司 | 2024-05-21 | — | — | CN | claimed |
| CN-114874184-B | Method for synthesizing lipoic acid | 诚达药业股份有限公司 | 2023-11-07 | — | — | CN | claimed |
| CN-114907242-B | Synthesis method of 8-mercapto-6-oxooctanoic acid | 诚达药业股份有限公司 | 2023-11-07 | — | — | CN | claimed |
| CN-112898368-B | Preparation method of obeticholic acid intermediate | 中国科学院成都有机化学有限公司 | 2023-08-18 | — | — | CN | claimed |
| CN-114907242-A | Synthesis method of 8-mercapto-6-oxooctanoic acid | 诚达药业股份有限公司 | 2022-08-16 | — | — | CN | claimed |
| CN-114874184-A | Synthetic method of lipoic acid | 诚达药业股份有限公司 | 2022-08-09 | — | — | CN | claimed |
| CN-114805052-A | Method for synthesizing p-vinylbenzoic acid | 华衍化学(上海)有限公司 | 2022-07-29 | — | — | CN | claimed |
| CN-114560884-A | Preparation method of alpha-vinyl, omega-hydroxy siloxane oligomer | 湖南科技学院 | 2022-05-31 | — | — | CN | claimed |
| CN-111807968-B | Synthetic method of 2- (1-cyclohexenyl) ethylamine | 复旦大学 | 2022-05-20 | — | — | CN | claimed |
| CN-113429278-A | Novel synthesis method of intermediate C15 alcohol for preparing canthaxanthin | 广州巨元生化有限公司 | 2021-09-24 | — | — | CN | claimed |
| CN-112898368-A | Preparation method of obeticholic acid intermediate | 中国科学院成都有机化学有限公司 | 2021-06-04 | — | — | CN | claimed |
| CN-111807968-A | Synthetic method of 2- (1-cyclohexenyl) ethylamine | 复旦大学 | 2020-10-23 | — | — | CN | claimed |
| CN-106966943-B | C4 branched polyhydroxy pyrrolidine compound and preparation method and application thereof | 中国科学院化学研究所 | 2020-09-18 | — | — | CN | claimed |
| CN-108503652-B | Chemical total synthesis preparation method of crotonaldehyde diterpene Prostratin | 西安交通大学 | 2020-08-28 | — | — | CN | claimed |
| CN-108503652-A | A kind of fully synthetic preparation method of chemistry of crotons alkane diterpene Prostratin | 西安交通大学 | 2018-09-07 | — | — | CN | claimed |
| CN-106966943-A | Polyhydroxy pyrrole class compound of C4 cladodification and its preparation method and application | 中国科学院化学研究所 | 2017-07-21 | — | — | CN | claimed |
| CN-118056806-A | Preparation method of vinyl ionol | 万华化学集团股份有限公司 | 2024-05-21 | — | — | CN | disclosed |
| CN-114560884-B | Preparation method of alpha-vinyl, omega-hydroxy siloxane oligomer | 湖南科技学院 | 2024-02-27 | — | — | CN | disclosed |
| US-5157154-A | Tetra (organyl) tellurium compounds and process for preparing same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1992-10-20 | — | — | US | disclosed |
| US-4648995-A | Chemical synthesis | BETH ISRAEL MEDICAL CENTER (US) | 1987-03-10 | — | — | US | disclosed |