⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30480021 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL3002500 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL11159228 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL2967314 | 0.72 | — | — | |
| SCHEMBL2918695 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL3883222 | 0.70 | ACHE (0.39) | — | |
| SCHEMBL2958764 | 0.69 | — | — | |
| SCHEMBL3009810 | 0.69 | ACHE (0.38) | — | |
| SCHEMBL27827885 | 0.69 | ACHE (0.38) | — | |
| SCHEMBL1107765 | 0.69 | TSHR (0.50) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9163046-B2 | Process for producing substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2015-10-20 | — | — | US | disclosed |
| US-8563457-B2 | Polymerization catalyst composition for polymerization of isoprene compound | RIKEN (JP) | 2013-10-22 | — | — | US | disclosed |
| US-20110021346-A1 | POLYMERIZATION CATALYST COMPOSITION FOR POLYMERIZATION OF ISOPRENE COMPOUND | RIKEN (JP) | 2011-01-27 | — | — | US | disclosed |
| US-7829642-B2 | Polymerization catalyst composition for polymerization of isoprene compound | RIKEN (JP) | 2010-11-09 | — | — | US | disclosed |
| US-7763562-B2 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-20100113717-A1 | Process For Producing Substituted Metallocene Compounds For Olefin Polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2010-05-06 | — | — | US | disclosed |
| US-7709670-B2 | Process for producing substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-05-04 | — | — | US | disclosed |
| EP-1866322-B1 | PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEM PATENTS INC (US) | 2010-02-24 | — | — | EP | disclosed |
| US-20090030167-A1 | POLYMERIZATION CATALYST COMPOSITION FOR POLYMERIZATION OF ISOPRENE COMPOUND | RIKEN (JP) | 2009-01-29 | — | — | US | disclosed |
| EP-1995257-A1 | POLYMERIZATION CATALYST COMPOSITION FOR POLYMERIZATION OF ISOPRENE COMPOUND | Riken (JP) | 2008-11-26 | — | — | EP | disclosed |
| EP-1866322-A2 | PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2007-12-19 | — | — | EP | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |
| US-20060160968-A1 | Process for producing substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2006-07-20 | — | — | US | disclosed |
| WO-2006065844-A2 | PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006065809-A2 | HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |
| EP-0641360-B1 | PREPARATION OF ADDITION POLYMERIZATION CATALYSTS VIA LEWIS ACID MITIGATED METAL CENTER OXIDATION | DOW CHEMICAL CO (US) | 1997-10-01 | — | — | EP | disclosed |
| EP-0495375-B1 | Process for preparing addition polymerization catalysts via metal center oxidation | DOW CHEMICAL CO (US) | 1997-02-26 | — | — | EP | disclosed |
| EP-0750625-A1 | PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEXES BY NUCLEOPHILIC SUBSTITUTION OF BIS(CYCLOPENTADIENYL) METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 1997-01-02 | — | — | EP | disclosed |
| WO-1995025112-A1 | PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEXES BY NUCLEOPHILIC SUBSTITUTION OF BIS(CYCLOPENTADIENYL) METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 1995-09-21 | — | — | WO | disclosed |
| EP-0495375-A2 | Process for preparing addition polymerization catalysts via metal center oxidation | THE DOW CHEMICAL COMPANY (US) | 1992-07-22 | — | — | EP | disclosed |