⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18778812 | 0.76 | LDHA (0.42) | — | |
| SCHEMBL3713808 | 0.76 | — | — | |
| SCHEMBL14178232 | 0.76 | CA2 (0.38) | — | |
| SCHEMBL92834 | 0.76 | — | — | |
| SCHEMBL18160817 | 0.75 | EPHX2 (0.38) | — | |
| SCHEMBL1385036 | 0.74 | — | — | |
| SCHEMBL19955899 | 0.74 | CA2 (0.36) | — | |
| SCHEMBL21872359 | 0.74 | CA2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5379762 | 0.74 | MEN1 (0.39) | — | |
| SCHEMBL7739122 | 0.74 | — | — |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119320360-A | In the selapage Process for the preparation of intermediates | 重庆圣华曦药业股份有限公司 | 2025-01-17 | — | — | CN | disclosed |
| CN-109384734-B | Preparation method of Selsemipa intermediate | 上海科胜药物研发有限公司 | 2023-04-11 | — | — | CN | disclosed |
| CN-113214169-B | Synthetic method of celecoxib intermediate | 江苏海洋大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-113214169-A | Synthetic method of celecoxib intermediate | 江苏海洋大学 | 2021-08-06 | — | — | CN | disclosed |
| CN-112939877-A | Synthesis method of diphenylpyrazine derivative | 南京理工大学 | 2021-06-11 | — | — | CN | disclosed |
| EP-3689855-A1 | CRYSTALS | Nippon Shinyaku Co., Ltd. (JP) | 2020-08-05 | — | — | EP | disclosed |
| CN-107365275-B | High purity celecoxib | 杭州华东医药集团新药研究院有限公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-109384733-B | Method for preparing celecoxib intermediate compound in high yield under mild condition | 新发药业有限公司 | 2020-04-28 | — | — | CN | disclosed |
| US-10544107-B2 | Process for the preparation of 2-{4-[(5,6-diphenyl pyrazin-2-yl)(isopropyl)amino]butoxy}-N-(methylsulfonyl)acetamide and novel polymorphs thereof | MAITHRI DRUGS PRIVATE LIMITED (IN) | 2020-01-28 | — | — | US | disclosed |
| US-10544107-B2 | Process for the preparation of 2-{4-[(5,6-diphenyl pyrazin-2-yl)(isopropyl)amino]butoxy}-N-(methylsulfonyl)acetamide and novel polymorphs thereof | MAITHRI DRUGS PRIVATE LIMITED (IN) | 2020-01-28 | — | — | US | disclosed |
| US-7867992-B2 | such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses | AICURIS GMBH & CO. KG (DE) | 2011-01-11 | — | — | US | disclosed |
| US-20070293478-A1 | Substituted quinolones | BAYER HEALTHCARE AG (DE) | 2007-12-20 | — | — | US | disclosed |
| EP-1768973-B1 | SUBSTITUTED QUINOLONES | AICURIS GMBH & CO KG (DE) | 2007-12-05 | — | — | EP | disclosed |
| EP-1768973-A1 | SUBSTITUTED QUINOLONES | AiCuris GmbH & Co. KG (DE) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006008046-A1 | SUBSTITUTED QUINOLONES | AICURIS GMBH & CO. KG (DE) | 2006-01-26 | — | — | WO | disclosed |
| EP-0275804-B1 | PROCESS FOR PREPARING PHOSPHORUS-CONTAINING INTERMEDIATES FOR HERBICIDAL USE | RHONE-POULENC AGROCHIMIE (FR) | 1991-10-02 | — | — | EP | disclosed |
| EP-0189725-B1 | PREPARATION OF INTERMEDIATES CONTAINING PHOSPHORUS FOR HERBICIDAL USES | RHONE-POULENC AGROCHIMIE (FR) | 1989-03-08 | — | — | EP | disclosed |
| EP-0275804-A1 | Process for preparing phosphorus-containing intermediates for herbicidal use | RHONE-POULENC AGROCHIMIE (FR) | 1988-07-27 | — | — | EP | disclosed |
| CN-87105951-A | As herbicidal phosphorous intermediates preparation | — | 1988-06-29 | — | — | CN | disclosed |
| EP-0189725-A1 | Preparation of intermediates containing phosphorus for herbicidal uses | RHONE-POULENC AGROCHIMIE (FR) | 1986-08-06 | — | — | EP | disclosed |