⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2556161 | 0.72 | — | — | |
| SCHEMBL270228 | 0.67 | — | — | |
| SCHEMBL949529 | 0.67 | — | — | |
| SCHEMBL5950458 | 0.67 | — | — | |
| SCHEMBL27532821 | 0.62 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL4481319 | 0.59 | ALDH1A1 (0.44) | — | |
| SCHEMBL156010 | 0.59 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL122284 | 0.59 | — | — | |
| SCHEMBL1245809 | 0.58 | — | — | |
| Lithium Ion SCHEMBL2113666 | 0.58 | — | — |
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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | claimed |
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | claimed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | claimed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | claimed |
| EP-0142040-A2 | Substituted pyrimidines | BAYER AG (DE) | 1985-05-22 | — | — | EP | claimed |
| US-11492425-B2 | Metallocene catalyst compositions and polymerization process therewith | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2022-11-08 | — | — | US | disclosed |
| CN-109906234-B | Single site catalyst polyolefin polymerization process | 埃克森美孚化学专利公司 | 2022-04-22 | — | — | CN | disclosed |
| US-20210380734-A1 | Metallocene Catalyst Compositions and Polymerization Process Therewith | EXXONMOBIL CHEMICAL PATENTS INC. | 2021-12-09 | — | — | US | disclosed |
| US-11078311-B2 | Single-site catalyst polyolefin polymerization process | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2021-08-03 | — | — | US | disclosed |
| US-11059918-B2 | Metallocene catalyst compositions and polymerization process therewith | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2021-07-13 | — | — | US | disclosed |
| US-11028196-B2 | Polyolefin compositions | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2021-06-08 | — | — | US | disclosed |
| EP-3827033-A1 | PREPARATION OF BIMODAL RUBBER, THERMOPLASTIC VULCANIZATES, AND ARTICLES MADE THEREFROM | ExxonMobil Chemical Patents Inc. (US) | 2021-06-02 | — | — | EP | disclosed |
| US-20070293640-A1 | Multiple catalyst system for olefin polymerization and polymers produced therefrom | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-12-20 | — | — | US | disclosed |
| US-7294681-B2 | Mutliple catalyst system for olefin polymerization and polymers produced therefrom | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-11-13 | — | — | US | disclosed |
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-7223822-B2 | Multiple catalyst and reactor system for olefin polymerization and polymers produced therefrom | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-05-29 | — | — | US | disclosed |
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | disclosed |
| EP-0142040-A2 | Substituted pyrimidines | BAYER AG (DE) | 1985-05-22 | — | — | EP | disclosed |