⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5603703 | 0.81 | NOS3 (0.36) | — | |
| SCHEMBL5602884 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL5603901 | 0.75 | TYR (0.35) | — | |
| SCHEMBL5602541 | 0.74 | GABRA1 (0.40) | — | |
| SCHEMBL5603063 | 0.69 | NOS2 (0.32) | — | |
| SCHEMBL29619533 | 0.68 | GABRA1 (0.41) | — | |
| SCHEMBL166573 | 0.68 | GABRA1 (0.41) | — | |
| SCHEMBL5602743 | 0.67 | KCNH2 (0.36) | — | |
| SCHEMBL5602173 | 0.67 | KCNH2 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL27539208 | 0.66 | GABRA1 (0.39) | — |
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 3 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 | claimed |
| 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 |