⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29596392 | 0.81 | — | — | |
| SCHEMBL30146933 | 0.72 | — | — | |
| Metacresol SCHEMBL31484203 | 0.71 | — | — | |
| Metacresol SCHEMBL30662557 | 0.71 | — | — | |
| Metacresol SCHEMBL29652691 | 0.69 | — | — | |
| P-Cresol SCHEMBL1331403 | 0.67 | — | — | |
| SCHEMBL13663353 | 0.65 | — | — | |
| P-Cresol SCHEMBL13657206 | 0.65 | — | — | |
| SCHEMBL30112706 | 0.65 | — | — | |
| Phloroglucinol SCHEMBL30365305 | 0.65 | — | — |
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-119224139-A | High-resolution mass spectrum characterization method and application of chromatographic co-outflow dimethylphenol isomer | 中国石油天然气集团有限公司 | 2024-12-31 | — | — | CN | claimed |
| CN-119224139-A | High-resolution mass spectrum characterization method and application of chromatographic co-outflow dimethylphenol isomer | 中国石油天然气集团有限公司 | 2024-12-31 | — | — | CN | disclosed |