Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Benzene. 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL2939929 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL28428218 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL9860731 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL5898844 | 1.00 | — | — | |
| Benzene SCHEMBL9860727 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL9860060 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL8215016 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL5320320 | 1.00 | — | — | |
| Benzene SCHEMBL2939930 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL5320317 | 1.00 | TSHR (0.75) | — |
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 277 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114057789-B | Preparation method of aryl phosphate | 浙江万盛股份有限公司 | 2024-08-06 | — | — | CN | claimed |
| CN-117603159-A | Thiadiazole compound containing hindered phenol group, preparation method thereof and application thereof in field of lubricating oil additives | 大连理工大学盘锦产业技术研究院 | 2024-02-27 | — | — | CN | claimed |
| CN-117099234-A | Flame retardant for battery electrolyte | 雅宝公司 | 2023-11-21 | — | — | CN | claimed |
| CN-116789732-A | Perindopril preparation method | 甘肃皓天科技股份有限公司 | 2023-09-22 | — | — | CN | claimed |
| CN-116443950-A | Demagnetizing method of cathode material, pole piece, energy storage device and electric equipment | 厦门海辰储能科技股份有限公司 | 2023-07-18 | — | — | CN | claimed |
| CN-111635431-B | Preparation method of diphenyl phenylphosphonate | 浙江万盛股份有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-115028607-A | Compound with acaricidal activity, preparation method and application | 四川农业大学 | 2022-09-09 | — | — | CN | claimed |
| CN-114436949-A | Tetradentate ligand and metal complex, and preparation method and application thereof | 上海巽田科技股份有限公司 | 2022-05-06 | — | — | CN | claimed |
| CN-113773186-A | Synthetic method of p-bromobenzaldehyde | 山东润科化工股份有限公司 | 2021-12-10 | — | — | CN | claimed |
| CN-109053541-B | Nitrogen-oxygen-containing radical-containing oxygen-free radical sym-terphenyl (triazine) tricarboxylic acid copper complex and application thereof in preparation of menadione | 洛阳师范学院 | 2020-10-27 | — | — | CN | claimed |
| CN-108201934-A | A kind of engineering building stones milling device and its method of work | 徐州工程学院 | 2018-06-26 | — | — | CN | claimed |
| CN-107936030-A | Water-soluble brominated copper porphyrin and its bromine substitutive derivative, its synthetic method and application | 西北民族大学 | 2018-04-20 | — | — | CN | claimed |
| CN-107805247-A | A kind of preparation technology and its application for being used to prepare the beta-carboline compounds of anti-kidney fibrosis medicine and/or anti-chronic kidney disease medicine | 临沂齐泽医药技术有限公司 | 2018-03-16 | — | — | CN | claimed |
| CN-107286179-A | A kind of novel method for synthesizing of IDTT derivatives | 武汉理工大学 | 2017-10-24 | — | — | CN | claimed |
| CN-106117254-A | A kind of synthesis technique of Carboxybenzeneboronic acid | 许昌豪丰化学科技有限公司 | 2016-11-16 | — | — | CN | claimed |
| US-7279590-B2 | Preparation of organohalosilanes | SHIN-ESTU CHEMICAL CO., LTD. (JP) | 2007-10-09 | — | — | US | claimed |
| CN-1322719-A | MYT1 kinase inhibitor | SMITHKLINE BEECHAM CORP (US) | 2001-11-21 | — | — | CN | claimed |
| WO-1991012223-A1 | PROCESS FOR DEHYDROHALOGENATING AROMATIC HALIDES | EASTMAN KODAK COMPANY (US) | 1991-08-22 | — | — | WO | claimed |
| EP-0442236-A1 | Process for dehydrohalogenating aromatic halides | EASTMAN KODAK COMPANY (US) | 1991-08-21 | — | — | EP | claimed |
| US-4925998-A | RECOVERING HALIDE, GROUP 8 METAL CATALYST | EASTMAN KODAK COMPANY (US) | 1990-05-15 | — | — | US | claimed |