⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL609000 | 0.90 | ALDH1A1 (0.35) | — | |
| SCHEMBL27390150 | 0.81 | HDAC7 (0.37) | — | |
| SCHEMBL22228980 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL11235344 | 0.81 | ALDH1A1 (0.52) | — | |
| SCHEMBL21343092 | 0.78 | HCAR2 (0.35) | — | |
| SCHEMBL2597326 | 0.77 | — | — | |
| SCHEMBL892657 | 0.77 | — | — | |
| SCHEMBL609001 | 0.77 | — | — | |
| SCHEMBL8777463 | 0.76 | — | — | |
| SCHEMBL11261474 | 0.76 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113831342-B | Ketorolac derivative, pharmaceutical composition, and preparation method and application thereof | 南京海融医药科技股份有限公司 | 2023-09-12 | — | — | CN | disclosed |
| EP-3587403-B1 | N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE | WEST CHINA HOSPITAL SICHUAN UNIV (CN) | 2023-08-23 | — | — | EP | disclosed |
| US-20230134672-A1 | KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF | NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2023-05-04 | — | — | US | disclosed |
| US-20230134672-A1 | KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF | NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2023-05-04 | — | — | US | disclosed |
| US-20230134672-A1 | KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF | NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2023-05-04 | — | — | US | disclosed |
| US-20230000812-A1 | IBUPROFEN ESTER PRODRUG, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION | NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2023-01-05 | — | — | US | disclosed |
| CN-114728883-A | Ibuprofen ester prodrug, pharmaceutical composition, preparation method and application | 南京海融医药科技股份有限公司 | 2022-07-08 | — | — | CN | disclosed |
| EP-3984989-A1 | IBUPROFEN ESTER PRODRUG, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD AND USE | Nanjing Heron Pharmaceutical Science and Technology Co., Ltd. (CN) | 2022-04-20 | — | — | EP | disclosed |
| WO-2021259060-A1 | KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF | 南京海融医药科技股份有限公司 | 2021-12-30 | — | — | WO | disclosed |
| US-11208385-B2 | N-substituted imidazole carboxylate compound, preparation method and use | WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) | 2021-12-28 | — | — | US | disclosed |
| CN-113831342-A | Ketorolac derivative, pharmaceutical composition, preparation method and application thereof | 南京海融医药科技股份有限公司 | 2021-12-24 | — | — | CN | disclosed |
| CN-107652239-B | N-substituted imidazole carboxylic ester compound, preparation method and application | 四川大学华西医院 | 2020-08-04 | — | — | CN | disclosed |
| US-20200231546-A1 | N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE | WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) | 2020-07-23 | — | — | US | disclosed |
| EP-0060904-B1 | A PROCESS FOR MAKING VICINAL EPOXIDES AND ALKYL HALIDES OR ALKYLENE DIHALIDES FROM CARBONATE ESTERS | THE DOW CHEMICAL COMPANY (US) | 1986-09-10 | — | — | EP | disclosed |
| US-4387237-A | DECOMPOSITION OF B-HALOALKYL CARBONATES | THE DOW CHEMICAL COMPANY (US) | 1983-06-07 | — | — | US | disclosed |
| EP-0060904-A1 | A process for making vicinal epoxides and alkyl halides or alkylene dihalides from carbonate esters | THE DOW CHEMICAL COMPANY (US) | 1982-09-29 | — | — | EP | disclosed |
| US-4349482-A | Process for making vicinal epoxides and dihalides | THE DOW CHEMICAL CO. (US) | 1982-09-14 | — | — | US | disclosed |
| US-4261906-A | DECOMPOSITION OF BETA-HALOALKYL CARBONATE IN PRESENCE OF QUATERNARY AMMONIUM OR PHOSPHONIUM SALT | THE DOW CHEMICAL COMPANY (US) | 1981-04-14 | — | — | US | disclosed |