⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5603829 | 0.87 | KDM4E (0.30) | — | |
| SCHEMBL5601940 | 0.85 | — | — | |
| SCHEMBL5602517 | 0.84 | — | — | |
| SCHEMBL5603615 | 0.83 | — | — | |
| SCHEMBL5602699 | 0.83 | — | — | |
| SCHEMBL5602852 | 0.83 | — | — | |
| SCHEMBL5602321 | 0.83 | — | — | |
| SCHEMBL5601554 | 0.83 | — | — | |
| SCHEMBL5601166 | 0.82 | — | — | |
| SCHEMBL5603897 | 0.82 | CYP11B2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |
| US-6635733-B2 | Coordination catalyst; radiation transparent, elasticity | CHISSO CORPORATION (JP) | 2003-10-21 | — | — | US | disclosed |
| US-20020002261-A1 | Elastomeric polypropylene | JNC PETROCHEMICAL CORPORATION (JP) | 2002-01-03 | — | — | US | disclosed |
| US-20010031834-A1 | Using coordination catalyst; flexibility, elasticity; molding materials | CHISSO CORPORATION | 2001-10-18 | — | — | US | disclosed |