⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16077939 | 0.88 | GABRA1 (0.36) | — | |
| SCHEMBL5586905 | 0.83 | GABRA1 (0.38) | — | |
| SCHEMBL16077935 | 0.83 | GABRA1 (0.38) | — | |
| SCHEMBL5590623 | 0.81 | PLAU (0.32) | — | |
| SCHEMBL5589081 | 0.81 | TRPA1 (0.37) | — | |
| SCHEMBL16077931 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL5587740 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL5587675 | 0.78 | GABRA1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7179230 | 0.76 | TRPA1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7185534 | 0.76 | TRPA1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7247687-B2 | Late transition metal catalysts for olefin polymerization and oligomerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-07-24 | — | — | US | disclosed |
| EP-1521758-B1 | LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION | EXXONMOBIL CHEM PATENTS INC (US) | 2006-05-24 | — | — | EP | disclosed |
| US-20060047094-A1 | Late transition metal catalysts for olefin polymerization and oligomerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2006-03-02 | — | — | US | disclosed |