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 SCHEMBL1033046 | 1.00 | — | — | |
| 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 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113646355-B | Solvent-free ionic liquid epoxy resin | 亚利桑那州立大学董事会 | 2025-02-25 | — | — | CN | claimed |
| CN-113831458-B | Preparation method of middle-Mooney viscosity and low-saturation butyl rubber | 中国石油天然气股份有限公司 | 2024-05-28 | — | — | CN | claimed |
| CN-114478950-B | Three-arm comb-shaped star-shaped branched butyl rubber and preparation method thereof, and preparation method of three-arm star-shaped nucleating agent | 中国石油天然气股份有限公司 | 2023-11-28 | — | — | CN | claimed |
| CN-114478953-B | Preparation method of three-arm comb-shaped star-branched butyl rubber | 中国石油天然气股份有限公司 | 2023-11-28 | — | — | CN | claimed |
| CN-114478949-B | Preparation method of wide-distribution three-arm comb-shaped star-branched butyl rubber | 中国石油天然气股份有限公司 | 2023-11-28 | — | — | CN | claimed |
| CN-114478951-B | Preparation method of wide-distribution three-arm comb-shaped star-branched butyl rubber | 中国石油天然气股份有限公司 | 2023-11-28 | — | — | CN | claimed |
| CN-114478956-B | Preparation method of high-width-distribution three-hetero-arm comb-shaped star-shaped branched butyl rubber | 中国石油天然气股份有限公司 | 2023-11-28 | — | — | CN | claimed |
| CN-113493549-B | Preparation method of high-width distribution and high-branching butyl rubber | 中国石油天然气股份有限公司 | 2023-10-31 | — | — | CN | claimed |
| CN-113493550-B | Preparation method of high-width distribution high-branching butyl rubber | 中国石油天然气股份有限公司 | 2023-10-31 | — | — | CN | claimed |
| CN-113493556-B | Preparation method of hyperbranched butyl rubber | 中国石油天然气股份有限公司 | 2023-09-26 | — | — | CN | claimed |
| CN-113831470-B | Preparation method of middle-Mooney viscosity and low-saturation butyl rubber | 中国石油天然气股份有限公司 | 2023-08-22 | — | — | CN | claimed |
| CN-116410428-A | Preparation method of tri-hetero-arm all-secondary brominated branched butyl rubber | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | claimed |
| CN-116410415-A | Preparation method of brominated wide-distribution three-arm branched butyl rubber | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | claimed |
| CN-116410414-A | Preparation method of wide-distribution brominated branched butyl rubber | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | claimed |
| CN-116410418-A | Preparation method of three-arm brominated and branched butyl rubber | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | claimed |
| CN-116410417-A | Preparation method of three-hetero-arm brominated branched butyl rubber | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | claimed |
| CN-113493553-B | Preparation method of hyperbranched butyl rubber | 中国石油天然气股份有限公司 | 2023-05-26 | — | — | CN | claimed |
| US-20220153922-A1 | SOLVENT-LESS IONIC LIQUID EPOXY RESIN | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY | 2022-05-19 | — | — | US | claimed |
| CN-113646355-B | Solvent-free ionic liquid epoxy resin | 亚利桑那州立大学董事会 | 2025-02-25 | — | — | CN | disclosed |
| WO-2007076112-A2 | TRIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS | UNIVERSITY OF KENTUCKY (US) | 2007-07-05 | — | — | WO | disclosed |