⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11439577 | 0.96 | — | — | |
| SCHEMBL1070929 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL2637991 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL9086148 | 0.79 | — | — | |
| SCHEMBL229980 | 0.74 | — | — | |
| SCHEMBL17882161 | 0.72 | — | — | |
| SCHEMBL909946 | 0.72 | — | — | |
| SCHEMBL8923802 | 0.72 | — | — | |
| SCHEMBL17882163 | 0.72 | — | — | |
| SCHEMBL887897 | 0.72 | — | — |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004093891-A1 | VEGETABLE EXTRACT COMPOSITIONS COMPRISING INODOLE ACETIC, METHODS FOR THE PREPARATION OF SAID COMPSITIONS, AND THEIR USE AS CELL GROWTH INHIBITING AGENTS | VEIJLEN N.V. (AN) | 2004-11-04 | — | — | WO | claimed |
| EP-0153720-B1 | SPERGUALIN-RELATED COMPOUNDS HAVING A PHENYLENE GROUP, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 1988-11-09 | — | — | EP | claimed |
| EP-0153720-A2 | Spergualin-related compounds having a phenylene group, a process for their preparation and their use as medicaments | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 1985-09-04 | — | — | EP | claimed |
| CN-115322124-B | Synthesis method of 2-methylene butane-1, 4-dimethyl disulfonate | 凯美克(上海)医药科技有限公司 | 2023-12-22 | — | — | CN | disclosed |
| US-20220409589-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | GENZYME CORP (US) | 2022-12-29 | — | — | US | disclosed |
| CN-108976106-B | (E) Synthesis method of (E) -2-methylene-1, 4-butanedione compounds | 河南师范大学 | 2021-02-19 | — | — | CN | disclosed |
| US-10633591-B2 | Flame retardant itaconic acid-based compounds | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2020-04-28 | — | — | US | disclosed |
| US-10322111-B2 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | GENZYME CORPORATION (US) | 2019-06-18 | — | — | US | disclosed |
| US-20190106633-A1 | FLAME RETARDANT ITACONIC ACID-BASED COMPOUNDS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2019-04-11 | — | — | US | disclosed |
| EP-1465889-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | GENZYME CORP (US) | 2017-03-22 | — | — | EP | disclosed |
| US-20160228413-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2016-08-11 | — | — | US | disclosed |
| EP-0503896-B1 | Spiroorthocarbonate compound and polymers obtained therefrom | KURARAY CO (JP) | 1999-01-07 | — | — | EP | disclosed |
| WO-1994027992-A1 | PIPERIDINE DERIVATIVES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1994-12-08 | — | — | WO | disclosed |
| US-5298631-A | Polymers for molding materials | KURARAY CO., LTD. (JP) | 1994-03-29 | — | — | US | disclosed |
| EP-0503896-A1 | Spiroorthocarbonate compound and polymers obtained therefrom | KURARAY CO., LTD. (JP) | 1992-09-16 | — | — | EP | disclosed |
| EP-0153720-B1 | SPERGUALIN-RELATED COMPOUNDS HAVING A PHENYLENE GROUP, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 1988-11-09 | — | — | EP | disclosed |
| US-4556735-A | BACTERICIDE, ANTITUMOR AGENT | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) | 1985-12-03 | — | — | US | disclosed |
| EP-0153720-A2 | Spergualin-related compounds having a phenylene group, a process for their preparation and their use as medicaments | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 1985-09-04 | — | — | EP | disclosed |
| EP-0036160-B1 | PROCESS FOR THE PREPARATION OF 2-HYDROXYALKYL CHROMANES | BASF Aktiengesellschaft (DE) | 1983-05-11 | — | — | EP | disclosed |
| US-4344886-A | ETHERIFICATION, ALKYLATION, LEWIS ACID CATALYSTS | BASF AKTIENGESELLSCHAFT (DE) | 1982-08-17 | — | — | US | disclosed |