⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1825499 | 0.77 | — | — | |
| SCHEMBL817896 | 0.68 | — | — | |
| SCHEMBL1824700 | 0.67 | MAPK1 (0.38) | — | |
| SCHEMBL2973284 | 0.64 | PNMT (0.33) | — | |
| SCHEMBL4100396 | 0.60 | — | — | |
| SCHEMBL1452555 | 0.60 | ALDH1A1 (0.30) | — | |
| SCHEMBL2483110 | 0.58 | — | — | |
| SCHEMBL690132 | 0.58 | — | — | |
| SCHEMBL2917929 | 0.58 | PNMT (0.34) | — | |
| SCHEMBL830824 | 0.56 | ALDH1A1 (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116410238-A | Sulfur-containing chiral bridged metallocene compound, and preparation and application thereof | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | disclosed |
| WO-2023124996-A1 | SULFUR-CONTAINING CHIRAL BRIDGED METALLOECENE COMPOUND, PREPARATION THEREOF, AND APPLICATION | 中国石油天然气股份有限公司 | 2023-07-06 | — | — | WO | disclosed |
| WO-2023124996-A1 | SULFUR-CONTAINING CHIRAL BRIDGED METALLOECENE COMPOUND, PREPARATION THEREOF, AND APPLICATION | 中国石油天然气股份有限公司 | 2023-07-06 | — | — | WO | disclosed |
| US-8546595-B2 | Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2013-10-01 | — | — | US | disclosed |
| US-20120202956-A1 | Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2012-08-09 | — | — | US | disclosed |
| 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 |
| EP-1960442-A1 | HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007070046-A1 | HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-06-21 | — | — | WO | disclosed |
| US-20070135623-A1 | Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |