⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5588716 | 0.93 | — | — | |
| SCHEMBL5587154 | 0.85 | — | — | |
| SCHEMBL5587248 | 0.80 | ESR1 (0.31) | — | |
| SCHEMBL5589209 | 0.79 | PPARG (0.33) | — | |
| SCHEMBL5589112 | 0.79 | TDP1 (0.33) | — | |
| SCHEMBL5588793 | 0.79 | CA2 (0.34) | — | |
| SCHEMBL5587802 | 0.79 | IMPDH2 (0.34) | — | |
| SCHEMBL5588044 | 0.79 | HPGD (0.31) | — | |
| SCHEMBL5587231 | 0.77 | THRB (0.33) | — | |
| SCHEMBL5586641 | 0.77 | FFAR1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7247687-B2 | Late transition metal catalysts for olefin polymerization and oligomerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-07-24 | — | — | US | disclosed |
| US-20060047094-A1 | Late transition metal catalysts for olefin polymerization and oligomerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2006-03-02 | — | — | US | disclosed |
| EP-1521758-A1 | LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION | Exxonmobil Chemical Patents Inc. (US) | 2005-04-13 | — | — | EP | disclosed |
| WO-2004007509-A1 | LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2004-01-22 | — | — | WO | disclosed |