⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2039293 | 0.95 | HPGD (0.42) | — | |
| SCHEMBL13881200 | 0.73 | — | — | |
| SCHEMBL13021599 | 0.70 | HPGD (0.44) | — | |
| SCHEMBL17377146 | 0.69 | PNMT (0.45) | — | |
| SCHEMBL16161354 | 0.69 | HSD17B10 (0.37) | — | |
| SCHEMBL25478156 | 0.69 | MAPT (0.39) | — | |
| SCHEMBL23840301 | 0.68 | HPGD (0.44) | — | |
| SCHEMBL16415890 | 0.68 | — | — | |
| SCHEMBL24701727 | 0.68 | HPGD (0.41) | — | |
| SCHEMBL12671868 | 0.68 | HPGD (0.31) | — |
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-8173828-B2 | Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2012-05-08 | — | — | US | disclosed |
| US-20110288249-A1 | Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2011-11-24 | — | — | US | disclosed |
| US-7868197-B2 | Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2011-01-11 | — | — | US | disclosed |
| US-20070135623-A1 | Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |