⚠ 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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL6039936 | 0.97 | TRPA1 (0.55) | — | |
| Orthocresol SCHEMBL16002 | 0.97 | — | — | |
| Orthocresol SCHEMBL8710164 | 0.97 | TRPA1 (0.60) | — | |
| Orthocresol SCHEMBL29395276 | 0.97 | — | — | |
| Orthocresol SCHEMBL170162 | 0.97 | TRPA1 (0.60) | — | |
| Orthocresol SCHEMBL10419161 | 0.97 | TRPA1 (0.60) | — | |
| Orthocresol SCHEMBL8995948 | 0.94 | — | — | |
| Orthocresol SCHEMBL5481807 | 0.94 | — | — | |
| O-Xylene SCHEMBL4541755 | 0.94 | TSHR (0.62) | — | |
| Orthocresol SCHEMBL3890279 | 0.94 | TRPA1 (0.57) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100460422-C | Catalytic components for polymerization of olefins, catalyst and process for the polymerization | MARUZEN PETROCHEM CO LTD (JP) | 2009-02-11 | — | — | CN | disclosed |
| CN-1249068-C | Chemical products suitable as cocatalysts, their preparation and their use in catalyst systems for the preparation of polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2006-04-05 | — | — | CN | disclosed |
| CN-1223627-C | Resin composition containing ethylene-like polymer, and its producing method | MARUZEN PETROCHEM CO LTD (JP) | 2005-10-19 | — | — | CN | disclosed |
| CN-1405224-A | Resin composition containing ethylene-like polymer, and its producing method | MARUZEN PETROCHEM CO LTD (JP) | 2003-03-26 | — | — | CN | disclosed |
| CN-1259963-A | Catalytic components for polymerization of olefins, catalyst and process for the polymerization | MARUZEN PETROCHEM CO LTD (JP) | 2000-07-12 | — | — | CN | disclosed |