⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8722348 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL29195952 | 0.81 | ALDH1A1 (0.48) | — | |
| SCHEMBL28873239 | 0.81 | ALDH1A1 (0.48) | — | |
| SCHEMBL6207422 | 0.79 | ESR1 (0.32) | — | |
| SCHEMBL27947472 | 0.79 | ESR1 (0.35) | — | |
| SCHEMBL28002462 | 0.79 | MGAM (0.46) | — | |
| SCHEMBL5450476 | 0.79 | — | — | |
| Methoxymethane SCHEMBL7865469 | 0.78 | ZDHHC7 (0.36) | — | |
| SCHEMBL3405450 | 0.77 | — | — | |
| SCHEMBL3066344 | 0.77 | — | — |
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 15 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 |
| 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 |
| 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 |
| 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-103562210-B | PI3K 110 δ are had to optionally benzo oxygen azepine * compound and using method | F. HOFFMANN-LA ROCHE AG (CH) | 2016-05-25 | — | — | CN | disclosed |
| CN-103242192-B | The inhibitor of 11-beta-hydroxysteroid dehydrogenase 1 type enzyme | ABBVIE INC. (US) | 2016-05-04 | — | — | CN | disclosed |
| CN-102459272-B | Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use | GENENTECH INC | 2014-08-06 | — | — | CN | disclosed |
| CN-102348682-B | 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |
| CN-102712620-B | 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds | HOFFMANN LA ROCHE | 2014-02-26 | — | — | CN | disclosed |
| CN-103562210-A | Benzoxazepin compounds selective for pi3k p110 delta and methods of use | HOFFMANN LA ROCHE | 2014-02-05 | — | — | CN | disclosed |
| US-5243043-A | Cephalosporin antibiotics and bactericides | ROUSSEL UCLAF (FR) | 1993-09-07 | — | — | US | disclosed |
| US-4992431-A | Bactericides or antibiotics | ROUSSELUCLAF (FR) | 1991-02-12 | — | — | US | disclosed |
| US-4463002-A | Syn-isomers of 7-substituted-3-cephem-4-carboxylic acid esters | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-07-31 | — | — | US | disclosed |
| EP-0065745-A2 | Syn-isomers of 7-substituted-3-cephem-4-carboxylic acid esters, and a process for production thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1982-12-01 | — | — | EP | disclosed |