⚠ 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 SCHEMBL28137980 | 1.00 | — | — | |
| Ethyl Acetate SCHEMBL25250531 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL28221182 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL261878 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL7820006 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL28615209 | 0.97 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL28457765 | 0.97 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL1331990 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL1331901 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL30152067 | 0.97 | — | — |
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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112159328-A | Resolution method of dapoxetine | 石家庄市度智医药科技有限公司 | 2021-01-01 | — | — | CN | claimed |
| CN-106032359-B | Indazole compounds and its preparation method and application | 复旦大学 | 2018-07-20 | — | — | CN | claimed |
| CN-106890542-A | A kind of reaction end gas processing method | 绍兴文理学院 | 2017-06-27 | — | — | CN | claimed |
| CN-106032359-A | Indazole compounds, preparation method and applications thereof | 复旦大学 | 2016-10-19 | — | — | CN | claimed |
| EP-4265606-A1 | SALT FORM OF ISOQUINOLINONE TYPE COMPOUND AS ROCK PROTEIN KINASE INHIBITOR AND PREPARATION METHOD THEREFOR | Guangzhou Ocusun Ophthalmic Biotechnology Co., Ltd. (CN) | 2023-10-25 | — | — | EP | disclosed |
| US-20230331696-A1 | SALT FORM OF ISOQUINOLINONE TYPE COMPOUND AS ROCK INHIBITOR AND PREPARATION METHOD THEREFOR | OCUSUN OPHTHALMIC PHARMACEUTICAL (GUANGZHOU) CO., LTD. (CN) | 2023-10-19 | — | — | US | disclosed |
| WO-2023190472-A1 | CYCLOHEXYLENEDIAMINIUM SALT, USE THEREOF, AND MSE TYPE ZEOLITE OBTAINED USING SAME | 公益財団法人相模中央化学研究所 | 2023-10-05 | — | — | WO | disclosed |
| WO-2023083291-A1 | DERIVATIVE OF ASPARTIC ACID AND USE THEREOF IN TREATMENT OF METABOLIC DISEASES SUCH AS HEPATIC FIBROSIS AND NON-ALCOHOLIC HEPATITIS | 深圳利沃生物医药科技有限公司 | 2023-05-19 | — | — | WO | disclosed |
| WO-2023071218-A1 | PYRAZOLOPYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 沈阳药科大学 | 2023-05-04 | — | — | WO | disclosed |
| WO-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |
| CN-114423766-A | Penicilliane derivatives for the treatment of bacterial infections | 丹诺医药(苏州）有限公司 | 2022-04-29 | — | — | CN | disclosed |
| WO-2021102774-A1 | AMINE DERIVATIVE SERVING AS SSAO/VAP-1 INHIBITOR AND USE THEREOF | 广东东阳光药业有限公司 | 2021-06-03 | — | — | WO | disclosed |
| CN-103242221-A | Preparation method of dihydropyridine compound | SHANGHAI INST PHARM INDUSTRY | 2013-08-14 | — | — | CN | disclosed |
| CN-102850236-A | Novel benzamide histone deacetylase inhibitor and application thereof | SINOPHARM YIXIN PHARMACEUTICAL CO LTD | 2013-01-02 | — | — | CN | disclosed |
| CN-101589333-B | Liquid crystal aligning agent, liquid crystal alignment film using the same, and liquid crystal display element | NISSAN CHEMICAL IND LTD | 2011-06-08 | — | — | CN | disclosed |
| CN-101589333-A | Liquid crystal orientating agent, the liquid crystal orientating membrane that has used this directing agent and liquid crystal display cells | NISSAN CHEMICAL IND LTD (JP) | 2009-11-25 | — | — | CN | disclosed |
| CN-101448800-A | Novel compounds as cannabinoid receptor ligands and uses thereof | ABBOTT LAB (US) | 2009-06-03 | — | — | CN | disclosed |
| EP-1884508-A1 | Process for the preparation of polyhydroxylated stilbenes via claisen condensation | Portela & Ca., S.A. (PT) | 2008-02-06 | — | — | EP | disclosed |
| WO-2008012108-A2 | PROCESS FOR THE PREPARATION OF POLYHYDROXYLATED STILBENES VIA CLAISEN CONDENSATION | PORTELA & CA., S.A. (PT) | 2008-01-31 | — | — | WO | disclosed |
| CN-85101149-A | The preparation method of N-acyl group-hydroxyl and N-acyl group-acyloxy aromatic amine | — | 1987-01-17 | — | — | CN | disclosed |