⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8804338 | 0.84 | — | — | |
| SCHEMBL4215545 | 0.83 | NR1H2 (0.32) | — | |
| SCHEMBL23794976 | 0.73 | ACHE (0.41) | — | |
| SCHEMBL8979506 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL25841841 | 0.69 | HDAC8 (0.37) | — | |
| SCHEMBL1988693 | 0.69 | CYP3A4 (0.30) | — | |
| SCHEMBL8345905 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL24570886 | 0.69 | TTR (0.36) | — | |
| SCHEMBL12817591 | 0.69 | — | — | |
| SCHEMBL10617713 | 0.69 | BACE1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117304374-A | Olefin polymerization metallocene catalyst composition, and preparation and application thereof | 中国石油天然气股份有限公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-117285668-A | Ethylene-propylene copolymer catalyst composition and preparation and application thereof | 中国石油天然气股份有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-105985368-B | Metallocene complex containing heteroatom pi-ligand, its preparation method, its catalyst system and application of catalyst system | 中国石油天然气股份有限公司 | 2020-03-10 | — | — | CN | disclosed |
| US-20200062874-A1 | METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF | PETROCHINA COMPANY LIMITED (CN) | 2020-02-27 | — | — | US | disclosed |
| US-20180079843-A1 | METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF | PETROCHINA COMPANY LIMITED (CN) | 2018-03-22 | — | — | US | disclosed |
| EP-0710663-A1 | Boron-containing compound, its polymer, catalyst comprising the polymer and metallocene compound, and process for producing polyolefin | Japan Polyolefins Co., Ltd. (JP) | 1996-05-08 | — | — | EP | disclosed |