Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| SCHEMBL31620172 | 1.00 | — | — | |
| SCHEMBL536287 | 0.87 | — | — | |
| SCHEMBL30416447 | 0.87 | — | — | |
| SCHEMBL5554231 | 0.87 | — | — | |
| SCHEMBL29949116 | 0.87 | — | — | |
| SCHEMBL31753917 | 0.75 | — | — | |
| SCHEMBL13386984 | 0.75 | — | — | |
| SCHEMBL31592025 | 0.75 | — | — | |
| SCHEMBL22408511 | 0.75 | — | — | |
| SCHEMBL30905940 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120136678-A | Method for extracting m-para-ethyl phenol from tar and separating and by-producing 2, 6-xylenol | 煤炭科学技术研究院有限公司 | 2025-06-13 | — | — | CN | claimed |
| CN-120136678-A | Method for extracting m-para-ethyl phenol from tar and separating and by-producing 2, 6-xylenol | 煤炭科学技术研究院有限公司 | 2025-06-13 | — | — | CN | disclosed |