⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29829773 | 1.00 | — | — | |
| SCHEMBL218611 | 1.00 | — | — | |
| Benzene SCHEMBL28371694 | 0.84 | CA1 (0.31) | — | |
| SCHEMBL216559 | 0.82 | — | — | |
| SCHEMBL217782 | 0.79 | CA1 (0.33) | — | |
| Aniline SCHEMBL16320234 | 0.79 | — | — | |
| SCHEMBL28371766 | 0.78 | CYP3A4 (0.44) | — | |
| SCHEMBL29163275 | 0.78 | — | — | |
| SCHEMBL29399494 | 0.78 | — | — | |
| SCHEMBL218134 | 0.78 | — | — |
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-8802797-B2 | Vinyl-terminated macromonomer oligomerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2014-08-12 | — | — | US | disclosed |
| US-20130030135-A1 | Vinyl-Terminated Macromonomer Oligomerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2013-01-31 | — | — | US | disclosed |