⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8650182 | 0.82 | — | — | |
| SCHEMBL7263417 | 0.79 | — | — | |
| SCHEMBL4830192 | 0.74 | — | — | |
| SCHEMBL8910615 | 0.61 | — | — | |
| SCHEMBL22130554 | 0.61 | — | — | |
| SCHEMBL13522308 | 0.61 | NOS3 (0.30) | — | |
| SCHEMBL6953491 | 0.59 | — | — | |
| SCHEMBL25881211 | 0.58 | — | — | |
| SCHEMBL20654712 | 0.58 | — | — | |
| SCHEMBL26857211 | 0.58 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0963382-B2 | POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS | EXXONMOBIL CHEM PATENTS INC (US) | 2008-07-02 | — | — | EP | disclosed |
| US-6451938-B1 | CATALYTIC COMPLEX FORMED BY ACTIVATING TRANSITION METAL COMPOUNDS COMPRISING CYCLOPENTADIENIDE ANIONS WHICH BEAR FUSED HETEROCYCLIC RINGS | EXXON MOBIL CHEMICAL PATENTS INC. | 2002-09-17 | — | — | US | disclosed |
| EP-0963382-B1 | POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS | EXXONMOBIL CHEM PATENTS INC (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-0963382-A1 | POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS | EXXON CHEMICAL PATENTS INC. (US) | 1999-12-15 | — | — | EP | disclosed |
| WO-1998037106-A1 | POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS | EXXON CHEMICAL PATENTS INC. (US) | 1998-08-27 | — | — | WO | disclosed |