⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1004712 | 0.77 | — | — | |
| SCHEMBL14028740 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL18909035 | 0.75 | — | — | |
| Methylamine SCHEMBL27504132 | 0.69 | NFKB1 (0.34) | — | |
| SCHEMBL8669889 | 0.69 | — | — | |
| Ethylamine SCHEMBL27838288 | 0.68 | NFKB1 (0.33) | — | |
| SCHEMBL8835050 | 0.67 | — | — | |
| SCHEMBL24856795 | 0.66 | — | — | |
| SCHEMBL9167912 | 0.63 | — | — | |
| SCHEMBL9166390 | 0.63 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104513280-B | Bridged dinuclear metallocene compound for sPP (sPP), and preparation method and application thereof | 中国石油天然气股份有限公司 | 2017-07-07 | — | — | CN | disclosed |
| CN-104513280-A | Bridged dinuclear metallocene compound for sPP , and preparation method and application thereof | PETROCHINA CO LTD | 2015-04-15 | — | — | CN | disclosed |
| WO-2006076020-A2 | FUEL COMPOSITIONS AND METHODS THEREOF | FERNANDES JOSEPH B (US) | 2006-07-20 | — | — | WO | disclosed |
| US-5650528-A | Metallocene compounds | PHILLIPS PETROLEUM COMPANY (US) | 1997-07-22 | — | — | US | disclosed |
| US-5646323-A | COMPLEXING CYCLOPENTADIENYL-TYPE LIGAND, ALKALI METAL ALKYL, AND GROUP IVB OR VB METAL HALIDE TO FORM POLYMERIZATION CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1997-07-08 | — | — | US | disclosed |
| US-5609653-A | ANTIKNOCK | ELF ANTAR FRANCE (FR) | 1997-03-11 | — | — | US | disclosed |
| US-5591879-A | INTERMEDIATES FOR METALLOCENE POLYMERIZATION CATALYSTS | PHILLIPS PETROLEUM COMPANY (US) | 1997-01-07 | — | — | US | disclosed |
| US-5578741-A | OLEFIN POLYMERIZATION CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| US-5565396-A | METALLOCENE AND AN ORGANOALUMINOXANE COCATALYST FOR HOMO OR COPOLYMERIZING OLEFINS | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-15 | — | — | US | disclosed |
| US-5563284-A | COORDINATION CATALYSTS | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| US-5554795-A | Process for preparing cyclopentadienyl-type ligands | PHILLIPS PETROLEUM COMPANY (US) | 1996-09-10 | — | — | US | disclosed |
| EP-0694601-A1 | Fuel composition containing at least one fulvene derivate and its application | ELF ANTAR FRANCE (FR) | 1996-01-31 | — | — | EP | disclosed |
| US-4154924-A | Butyl reactor overflow plugging and post reactor polymerization prevention | EXXON RESEARCH & ENGINEERING CO. (US) | 1979-05-15 | — | — | US | disclosed |