⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2970889 | 0.77 | ADRA2A (0.32) | — | |
| SCHEMBL15352548 | 0.74 | — | — | |
| SCHEMBL1495929 | 0.74 | — | — | |
| SCHEMBL2971062 | 0.74 | PTGS2 (0.39) | — | |
| SCHEMBL2963926 | 0.73 | — | — | |
| SCHEMBL2972829 | 0.73 | — | — | |
| SCHEMBL1206425 | 0.73 | — | — | |
| SCHEMBL2975142 | 0.73 | — | — | |
| SCHEMBL11239616 | 0.70 | NPC1 (0.32) | — | |
| SCHEMBL5467873 | 0.70 | MEN1 (0.35) | — |
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 10 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-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 |
| 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 |