⚠ 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL3254085 | 0.91 | ALDH1A1 (0.64) | — | |
| SCHEMBL6007182 | 0.79 | — | — | |
| SCHEMBL5676975 | 0.79 | — | — | |
| SCHEMBL18446 | 0.77 | ALDH1A1 (0.53) | — | |
| SCHEMBL9126893 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL288480 | 0.77 | ALDH1A1 (0.53) | — | |
| SCHEMBL5673494 | 0.75 | — | — | |
| SCHEMBL733363 | 0.74 | — | — | |
| SCHEMBL3029208 | 0.74 | — | — | |
| SCHEMBL2115865 | 0.74 | ALDH1A1 (0.61) | — |
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 1991 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116283772-B | Compound with cyclobutene structure and preparation method and application thereof | 华南理工大学 | 2024-09-03 | — | — | CN | claimed |
| EP-3737676-B1 | ACETAL COMPOUNDS AND THERAPEUTIC USES THEREOF | LIGAND PHARM INC (US) | 2024-03-06 | — | — | EP | claimed |
| CN-114890933-B | Preparation method of racemic mitiglinide | 恒升德康(南京)医药科技有限公司 | 2024-02-06 | — | — | CN | claimed |
| CN-115215798-B | Aromatic cyanation synthesis method of inert olefin | 恒升德康(南京)医药科技有限公司 | 2024-02-06 | — | — | CN | claimed |
| CN-116283772-A | Compound with cyclobutene structure and preparation method and application thereof | 华南理工大学 | 2023-06-23 | — | — | CN | claimed |
| CN-111517985-B | Preparation method of 4- [ (1R) -1-amino-2-hydroxyethyl ] -3-fluoro-benzonitrile | 济南百润医药科技有限公司 | 2023-05-12 | — | — | CN | claimed |
| CN-111943899-B | Synthesis method of 5-ethyl formate tetrazole | 河北凯诺中星科技有限公司 | 2023-04-21 | — | — | CN | claimed |
| CN-111675625-B | Method for catalytic synthesis of tetrazoleacetic acid | 九江中星医药化工有限公司 | 2022-11-04 | — | — | CN | claimed |
| CN-115215798-A | Aromatic cyaniding synthesis method of inert olefin | 恒升德康(南京)医药科技有限公司 | 2022-10-21 | — | — | CN | claimed |
| CN-112625004-B | Novel photo-activated organic small molecule matrix, preparation method and application thereof in MALDI mass spectrometry detection | 苏州大学 | 2022-10-11 | — | — | CN | claimed |
| WO-2002055843-A1 | WELL TREATMENT FLUID COMPOSITIONS AND METHODS FOR THEIR USE | BJ SERVICES COMPANY (US) | 2002-07-18 | — | — | WO | claimed |
| EP-0889718-A1 | KERATIN FIBRE DYE COMPOSITIONS CONTAINING PYRROLO-AZOLE COMPOUNDS, USE THEREOF AS COUPLERS, AND DYEING METHOD | L'OREAL (FR) | 1999-01-13 | — | — | EP | claimed |
| CN-1202828-A | Substituted pyrzolyl benzenesulfonanides for use in veterinary | SEARLE & CO (US) | 1998-12-23 | — | — | CN | claimed |
| WO-1997035554-A1 | KERATIN FIBRE DYE COMPOSITIONS CONTAINING PYRROLO-AZOLE COMPOUNDS, USE THEREOF AS COUPLERS, AND DYEING METHOD | L'OREAL (FR) | 1997-10-02 | — | — | WO | claimed |
| CN-1141630-A | Substituted pyrazolyl benzenesulfonamides for treating inflammation | SEARLE & CO (US) | 1997-01-29 | — | — | CN | claimed |
| CN-1035664-A | NEW CHEMICAL PROCESS | MAY & BAKER LTD (GB) | 1989-09-20 | — | — | CN | claimed |
| EP-0323885-A1 | New chemical process | MAY & BAKER LIMITED (GB) | 1989-07-12 | — | — | EP | claimed |
| EP-0038541-B1 | NOVEL PRODRUGS OF BIOLOGICALLY ACTIVE AGENTS CONTAINING MERCAPTO GROUPS, PROCESS FOR PREPARING AND THERAPEUTICALLY EFFECTIVE COMPOSITION CONTAINING THE SAME | MERCK & CO. INC. (US) | 1986-08-13 | — | — | EP | claimed |
| EP-0023938-B1 | PREPARATION OF PYRROLE-2-ACETATES | McNeilab, Inc. (US) | 1983-07-20 | — | — | EP | claimed |
| US-4224279-A | Reactive gas generator | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF COMMERCE (US) | 1980-09-23 | — | — | US | claimed |