Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Dioxane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL29186276 | 1.00 | ALDH1A1 (0.50) | — | |
| Alcohol SCHEMBL29094337 | 1.00 | ALDH1A1 (0.50) | — | |
| Dioxane SCHEMBL7807843 | 0.96 | ALDH1A1 (0.46) | — | |
| Dioxane SCHEMBL28453643 | 0.96 | ALDH1A1 (0.46) | — | |
| Dioxane SCHEMBL4586354 | 0.96 | ALDH1A1 (0.46) | — | |
| Oxirane SCHEMBL29260 | 0.96 | — | — | |
| Oxirane SCHEMBL20305771 | 0.96 | — | — | |
| Oxirane SCHEMBL11591854 | 0.96 | TSHR (0.55) | — | |
| Dioxane SCHEMBL28447525 | 0.93 | ALDH1A1 (0.43) | — | |
| Oxirane SCHEMBL18625598 | 0.92 | — | — |
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 318 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117126154-A | Crystal of aryl-substituted five-membered aromatic heterocyclic compound and preparation method thereof | 瑞石生物医药有限公司 | 2023-11-28 | — | — | CN | claimed |
| US-20210188856-A1 | CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) | 2021-06-24 | — | — | US | claimed |
| EP-3808745-A1 | CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2021-04-21 | — | — | EP | claimed |
| EP-3684363-A1 | COCRYSTAL FORMS OF ((1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL) METHYL SULFAMATE, FORMULATIONS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2020-07-29 | — | — | EP | claimed |
| WO-2019060536-A1 | COCRYSTAL FORMS OF ((1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL) METHYL SULFAMATE, FORMULATIONS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2019-03-28 | — | — | WO | claimed |
| CN-108864057-A | Bis- target spot inhibitor of JAK and HDAC containing 4- amino-pyrazol structure and its preparation method and application | 山东大学 | 2018-11-23 | — | — | CN | claimed |
| CN-105263939-B | The acrylic compounds with four oxa- spiral skeletons for radiation-hardenable composition | 佩什托普公司 | 2018-04-10 | — | — | CN | claimed |
| CN-107556263-A | A kind of preparation method of nefopam hydrochloride | 康普药业股份有限公司 | 2018-01-09 | — | — | CN | claimed |
| CN-107406439-A | Salt form and crystal form of 1,2, 5-thiadiazolidine-1, 1-dioxide, preparation method and intermediate thereof | 江苏康缘药业股份有限公司 | 2017-11-28 | — | — | CN | claimed |
| CN-103923495-B | Ultrafine powder with compound multi-layer core-shell structure as well as production method and application thereof | 张孝根 | 2017-01-11 | — | — | CN | claimed |
| CN-101857564-A | Method for removing dioxane from Ftibamzone raw material | BEIJING UNION PHARMACEUTICAL FACTORY | 2010-10-13 | — | — | CN | claimed |
| EP-0330511-B1 | STABILIZATION OF 13,14-DIHYDRO-15-KETOPROSTAGLANDINS | Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) | 1992-08-12 | — | — | EP | claimed |
| EP-0429059-A2 | Process for producing hexabromocyclododecane | Tosoh Corporation (JP) | 1991-05-29 | — | — | EP | claimed |
| US-20260091147-A1 | METHOD FOR DETECTING INNATE IMMUNE ACTION IN VIVO USING GPR84-PET | THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIV (US) | 2026-04-02 | — | — | US | disclosed |
| WO-2024220480-A2 | METHOD FOR DETECTING INNATE IMMUNE ACTION IN VIVO USING GPR84-PET | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2024-10-24 | — | — | WO | disclosed |
| US-20240234798-A1 | METHOD FOR PRODUCING SOLID ELECTROLYTE PARTICLES AND METHOD FOR PRODUCING ALL-SOLID-STATE BATTERY | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2024-07-11 | — | — | US | disclosed |
| US-3966816-A | HERBICIDE INTERMEDIATES | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-06-29 | — | — | US | disclosed |
| US-3963756-A | HYDROXYLASE ENZYME INHIBITORS, HYPOTENSIVES | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) | 1976-06-15 | — | — | US | disclosed |
| US-3953525-A | α-Substituted-4-(2,2-dimethyl-1-hydroxypropyl)benzyl alcohols and esters | SANDOZ, INC. (US) | 1976-04-27 | — | — | US | disclosed |
| US-3937802-A | SPRAYABLE HAIR-SETTING COMPOSITION CONTAINING A SULFONATE CONTAINING HYDROPHILIC COPOLYMER | SANYO CHEMICAL INDUSTRIES, LTD. (JA) | 1976-02-10 | — | — | US | disclosed |