⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5602391 | 0.89 | — | — | |
| SCHEMBL5602204 | 0.85 | — | — | |
| SCHEMBL11023529 | 0.65 | ESR1 (0.37) | — | |
| SCHEMBL5602905 | 0.63 | TLR8 (0.33) | — | |
| SCHEMBL24983457 | 0.62 | TRPA1 (0.36) | — | |
| SCHEMBL10907609 | 0.60 | CYP1A2 (0.42) | — | |
| SCHEMBL9757698 | 0.60 | CYP1A2 (0.42) | — | |
| SCHEMBL1193728 | 0.60 | CYP1A2 (0.42) | — | |
| SCHEMBL71133 | 0.59 | PTGS1 (0.46) | — | |
| SCHEMBL3643889 | 0.59 | ESR1 (0.50) | — |
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 2 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 |