⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL491037 | 0.89 | — | — | |
| Propanol SCHEMBL8381194 | 0.88 | — | — | |
| Alcohol SCHEMBL8382970 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL4871096 | 0.86 | — | — | |
| Fluoride SCHEMBL1539673 | 0.86 | — | — | |
| Fluoride SCHEMBL5401001 | 0.86 | — | — | |
| Bromide SCHEMBL5406115 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL1590052 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL1539667 | 0.86 | — | — | |
| Bromide SCHEMBL1539708 | 0.86 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7307177-B2 | Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-12-11 | — | — | US | claimed |
| US-20060135353-A1 | Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2006-06-22 | — | — | US | claimed |
| WO-2006065468-A1 | METALLOCENE COMPLEXES, THEIR SYNTHESIS AND USE IN CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | claimed |
| US-7307177-B2 | Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-12-11 | — | — | US | disclosed |
| US-20060135353-A1 | Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2006-06-22 | — | — | US | disclosed |
| WO-2006065468-A1 | METALLOCENE COMPLEXES, THEIR SYNTHESIS AND USE IN CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |