Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Toluene. 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL1047196 | 1.00 | ACHE (0.92) | — | |
| Toluene SCHEMBL29218387 | 1.00 | ACHE (0.92) | — | |
| Toluene SCHEMBL10785683 | 1.00 | ACHE (0.92) | — | |
| Toluene SCHEMBL3235606 | 1.00 | — | — | |
| Toluene SCHEMBL15090983 | 1.00 | ACHE (0.92) | — | |
| Toluene SCHEMBL14954324 | 0.96 | ACHE (0.85) | — | |
| Toluene SCHEMBL29204764 | 0.96 | ACHE (0.85) | — | |
| Toluene SCHEMBL14953929 | 0.96 | ACHE (0.85) | — | |
| Toluene SCHEMBL3260520 | 0.96 | — | — | |
| Toluene SCHEMBL27667801 | 0.96 | ACHE (0.85) | — |
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 847 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120058374-A | Ceramic matrix composite material taking modified silicon carbide as precursor and preparation method thereof | 福建立亚化学有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-111060610-B | Method for simultaneously determining nitrogen and oxygen isotope composition of natural nitrate and nitrite | 陕西科技大学 | 2022-06-21 | — | — | CN | claimed |
| CN-111060610-A | Method for simultaneously measuring nitrogen and oxygen isotope composition of natural nitrate and nitrite | 陕西科技大学 | 2020-04-24 | — | — | CN | claimed |
| CN-110317421-A | A kind of Novel fireproof sealing material and preparation method thereof | 莱法特防火材料河北有限公司 | 2019-10-11 | — | — | CN | claimed |
| CN-110283562-A | A kind of FFC wire rod hot melt adhesive film of the resistance to combustion of no antimony and preparation method thereof | 广东莱尔新材料科技股份有限公司 | 2019-09-27 | — | — | CN | claimed |
| CN-109810002-A | A kind of method that useless bromobenzyl prepares benzylamine | 安徽泰格生物技术股份有限公司 | 2019-05-28 | — | — | CN | claimed |
| CN-109336875-A | A kind of synthetic method of canagliflozin | 江苏工程职业技术学院 | 2019-02-15 | — | — | CN | claimed |
| CN-109336874-A | A kind of preparation method of canagliflozin | 江苏工程职业技术学院 | 2019-02-15 | — | — | CN | claimed |
| CN-108558636-A | A kind of preparation method of 4- bromobenzoic acids | 黄石市利福达医药化工有限公司 | 2018-09-21 | — | — | CN | claimed |
| CN-108358868-A | 2- replaces the novel processing step of benzothiazole compound | 同济大学 | 2018-08-03 | — | — | CN | claimed |
| CN-1264007-C | Method for investigating fresh degree of rice grains | SATAKE CO LTD (JP) | 2006-07-12 | — | — | CN | claimed |
| CN-1793202-A | Tech., for polymerizing fibre grade polyphenyl sulfoether resin | DEYANG SCI & TECH CO LTD SICHU (CN) | 2006-06-28 | — | — | CN | claimed |
| CN-1755976-A | Electrolyte for lithium ion secondary battery and lithium ion secondary battery including the same | SAMSUNG SDI CO LTD (KR) | 2006-04-05 | — | — | CN | claimed |
| CN-1238257-C | Preparation method of nano zine oxide particles with uniform size | UNIV TSINGHUA (CN) | 2006-01-25 | — | — | CN | claimed |
| CN-1167503-C | Catalyst for decomposing organic hazardous material and method for decomposing organic halides using the same | ������ѧ��ʽ���� | 2004-09-22 | — | — | CN | claimed |
| CN-1414370-A | Method for investigating fresh degree of rice grains | SATAKE CO LTD (JP) | 2003-04-30 | — | — | CN | claimed |
| CN-1382072-A | Catalyst for decomposing organic hazardous material and method for decomposing organic halides using the same | MITSUI CHEMICALS INC (JP) | 2002-11-27 | — | — | CN | claimed |
| CN-1377337-A | Process for preparation of phenylacetic acid derivatives | NOVARTIS AG (CH) | 2002-10-30 | — | — | CN | claimed |
| CN-1237110-A | Brominated hydrocarbon blends for fire and explosion protection | UNIV OF NEW MEXICO (US) | 1999-12-01 | — | — | CN | claimed |
| CN-1036012-A | The selective epoxidation effect of alkene | EASTMAN KODAK CO (US) | 1989-10-04 | — | — | CN | claimed |