⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9331560 | 0.84 | — | — | |
| SCHEMBL6662116 | 0.84 | — | — | |
| Water SCHEMBL5868757 | 0.82 | — | — | |
| SCHEMBL17845549 | 0.73 | — | — | |
| SCHEMBL9260702 | 0.72 | — | — | |
| SCHEMBL826989 | 0.67 | — | — | |
| SCHEMBL29071067 | 0.67 | — | — | |
| SCHEMBL27149593 | 0.67 | — | — | |
| SCHEMBL28838016 | 0.63 | — | — | |
| SCHEMBL27354424 | 0.63 | — | — |
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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109415334-B | Process for producing 1, 3-dioxane-5-ones | 花王株式会社 | 2023-12-08 | — | — | CN | claimed |
| CN-109689848-B | Fragrance composition | 奇华顿股份有限公司 | 2022-12-23 | — | — | CN | claimed |
| CN-109641866-B | Process for producing glycerate | 花王株式会社 | 2022-02-25 | — | — | CN | claimed |
| US-10870643-B2 | Method for manufacturing 1,3-dioxane-5-one | KAO CORPORATION (JP) | 2020-12-22 | — | — | US | claimed |
| EP-1406609-A2 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2004-04-14 | — | — | EP | claimed |
| EP-1406609-A4 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2004-04-14 | — | — | EP | claimed |
| WO-2002060378-A2 | SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2002-08-08 | — | — | WO | claimed |
| EP-0363582-A1 | Substituted dioxolanes | BAYER AG (DE) | 1990-04-18 | — | — | EP | claimed |
| EP-0354429-A1 | Substituted dioxolanes, method for their preparation and their use as pesticides | BAYER AG (DE) | 1990-02-14 | — | — | EP | claimed |
| CN-115677635-B | Orange ketone derivative and application thereof | 中国科学院新疆理化技术研究所 | 2024-04-09 | — | — | CN | disclosed |
| CN-109415334-B | Process for producing 1, 3-dioxane-5-ones | 花王株式会社 | 2023-12-08 | — | — | CN | disclosed |
| CN-116655542-A | Dihydro quinolinone derivative, preparation method and application | 中山大学 | 2023-08-29 | — | — | CN | disclosed |
| CN-116514712-A | Synthesis method of 3-benzyl-2-phenyl-4-quinolone compound | 延安大学 | 2023-08-01 | — | — | CN | disclosed |
| CN-114773354-B | Simple synthesis method of Trisphaeridine | 武汉理工大学 | 2023-03-24 | — | — | CN | disclosed |
| WO-2000001683-A1 | METHODS FOR SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN COMPOUND | LEUKOSITE, INC. (US) | 2000-01-13 | — | — | WO | disclosed |
| US-5081265-A | Fungicides, plant protection agents | BAYER AKTIENGESELLSCHAFT (DE) | 1992-01-14 | — | — | US | disclosed |
| US-4988715-A | Fungicides from dioxolanes substituted with 1,2,4-triazole alkyl alkanols | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |
| EP-0363582-A1 | Substituted dioxolanes | BAYER AG (DE) | 1990-04-18 | — | — | EP | disclosed |
| EP-0354429-A1 | Substituted dioxolanes, method for their preparation and their use as pesticides | BAYER AG (DE) | 1990-02-14 | — | — | EP | disclosed |
| EP-0354429-A1 | Substituted dioxolanes, method for their preparation and their use as pesticides | BAYER AG (DE) | 1990-02-14 | — | — | EP | disclosed |