Known targets — ChEMBL curated mechanism
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 SCHEMBL27963691 | 0.92 | ACHE (0.85) | — | |
| Toluene SCHEMBL700754 | 0.92 | — | — | |
| Toluene SCHEMBL27531377 | 0.92 | ACHE (0.85) | — | |
| Toluene SCHEMBL4561853 | 0.92 | — | — | |
| Toluene SCHEMBL3632660 | 0.92 | — | — | |
| Toluene SCHEMBL1 | 0.92 | — | — | |
| Toluene SCHEMBL175861 | 0.92 | ACHE (1.00) | — | |
| SCHEMBL12344964 | 0.92 | ACHE (1.00) | — | |
| Toluene SCHEMBL4429042 | 0.92 | ACHE (1.00) | — | |
| SCHEMBL12344943 | 0.92 | ACHE (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109694538-B | Thermo-mechanical recyclable cross-linked cable material and preparation method thereof | 无锡市华美电缆有限公司 | 2021-05-25 | — | — | CN | claimed |
| CN-109694538-A | A kind of crosslinked electric cable material and preparation method thereof that can thermomechanically recycle | 无锡市华美电缆有限公司 | 2019-04-30 | — | — | CN | claimed |
| CN-109694538-B | Thermo-mechanical recyclable cross-linked cable material and preparation method thereof | 无锡市华美电缆有限公司 | 2021-05-25 | — | — | CN | disclosed |
| CN-109694538-A | A kind of crosslinked electric cable material and preparation method thereof that can thermomechanically recycle | 无锡市华美电缆有限公司 | 2019-04-30 | — | — | CN | disclosed |