⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29442074 | 0.92 | — | — | |
| SCHEMBL352101 | 0.92 | — | — | |
| SCHEMBL29551748 | 0.86 | — | — | |
| SCHEMBL348971 | 0.86 | — | — | |
| SCHEMBL7599516 | 0.82 | — | — | |
| SCHEMBL116944 | 0.77 | — | — | |
| Diethylaniline SCHEMBL29607002 | 0.77 | TP53 (0.32) | — | |
| Diethylaniline SCHEMBL219290 | 0.77 | TP53 (0.32) | — | |
| SCHEMBL30973629 | 0.76 | — | — | |
| Trimethylammonium SCHEMBL367682 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088867-B2 | Multiple catalyst system for olefin polymerization and polymers produced therefrom | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2012-01-03 | — | — | US | disclosed |