Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL2427 | 1.00 | — | — | |
| Dioxane SCHEMBL5850845 | 1.00 | TTR (0.86) | — | |
| Dioxane SCHEMBL21461950 | 0.94 | — | — | |
| SCHEMBL3137720 | 0.93 | TTR (1.00) | — | |
| SCHEMBL1119 | 0.93 | TTR (1.00) | — | |
| SCHEMBL11207601 | 0.93 | TTR (1.00) | — | |
| Dioxane SCHEMBL9836999 | 0.93 | — | — | |
| SCHEMBL78595 | 0.93 | TTR (1.00) | — | |
| SCHEMBL6057268 | 0.93 | TTR (1.00) | — | |
| SCHEMBL16041435 | 0.93 | TTR (1.00) | — |
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 179 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117720591-A | Synthesis method of 14-methyl ether epirubicin | 浙江亚瑟医药有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-112679359-B | Preparation method of bronopol | 苏州亚科科技股份有限公司 | 2022-11-22 | — | — | CN | claimed |
| CN-112679359-A | Preparation method of bronopol | 苏州亚科科技股份有限公司 | 2021-04-20 | — | — | CN | claimed |
| CN-106032359-B | Indazole compounds and its preparation method and application | 复旦大学 | 2018-07-20 | — | — | CN | claimed |
| CN-107267191-A | With the method for nitride in imidazole type dication liquid removal diesel oil | 宁波大学 | 2017-10-20 | — | — | CN | claimed |
| CN-104230876-B | A kind of synthetic method of health azole drug key intermediate cis-bromic ester | 重庆沃肯精细化工有限公司 | 2016-12-28 | — | — | CN | claimed |
| CN-106032359-A | Indazole compounds, preparation method and applications thereof | 复旦大学 | 2016-10-19 | — | — | CN | claimed |
| CN-104230876-A | New synthetic method for key intermediate cis-bromo-ester of conazole medicines | CHONGQING WERLCHEM FINE CHEMICAL CO LTD | 2014-12-24 | — | — | CN | claimed |
| CN-1302008-C | Synthetic method for N(2)-L-alanyl-L-glutamine dipeptide | UNIV XIAMEN (CN) | 2007-02-28 | — | — | CN | claimed |
| CN-1683391-A | Synthetic method for N(2)-L-alanyl-L-glutamine dipeptide | UNIV XIAMEN (CN) | 2005-10-19 | — | — | CN | claimed |
| CN-115490640-B | Substituted benzimidazoles, compositions containing them and their use | 深圳市塔吉瑞生物医药有限公司 | 2024-11-26 | — | — | CN | disclosed |
| US-11981686-B2 | Urea compound having substituent | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2024-05-14 | — | — | US | disclosed |
| EP-4365174-A1 | METHOD FOR PRODUCING BENZOXAZOLE DERIVATIVE HAVING BICYCLIC PIPERAZINE RING OR SALT THEREOF, AND METHOD FOR PRODUCING MATERIAL THEREOF | Meiji Seika Pharma Co., Ltd. (JP) | 2024-05-08 | — | — | EP | disclosed |
| CN-117836280-A | Preparation method of 4-bromo-isothiazolinone derivative and 4-bromo-isothiazolinone derivative | 奥加诺株式会社 | 2024-04-05 | — | — | CN | disclosed |
| CN-117720591-A | Synthesis method of 14-methyl ether epirubicin | 浙江亚瑟医药有限公司 | 2024-03-19 | — | — | CN | disclosed |
| US-4173482-A | Dry image forming material containing an organic silver salt oxidizing agent, a reducing agent and a halogen molecule | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1979-11-06 | — | — | US | disclosed |
| US-4112000-A | BACTERIOSTATS | MAR-PHA, SOCIETE D'ETUDE ET D'EXPLOITATION DE MARQUES (FR) | 1978-09-05 | — | — | US | disclosed |
| US-4041064-A | PROSTAGLANDINS; ANTISPASMODICS, ISOTONICS, ANTIASTHMATICS, ANTIULCER AND ANTISECRETORY AGENTS | CARLO-ERBA S.P.A. (IT) | 1977-08-09 | — | — | US | disclosed |
| US-4032598-A | TREATMENT WITH A BASE | MARUZEN OIL CO. LTD. (JA) | 1977-06-28 | — | — | US | disclosed |
| US-3935251-A | FIRE RETARDANTS | CIBA-GEIGY CORPORATION (US) | 1976-01-27 | — | — | US | disclosed |