⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6441179 | 0.87 | PKM (0.31) | — | |
| Ethylamine SCHEMBL17857659 | 0.83 | — | — | |
| SCHEMBL3989471 | 0.81 | PKM (0.30) | — | |
| Methylamine SCHEMBL30621851 | 0.80 | — | — | |
| Methylamine SCHEMBL5617396 | 0.80 | — | — | |
| Methylamine SCHEMBL29533072 | 0.80 | — | — | |
| Propylamine SCHEMBL27627901 | 0.79 | — | — | |
| SCHEMBL219355 | 0.78 | — | — | |
| SCHEMBL30057804 | 0.78 | — | — | |
| Methylamine SCHEMBL29773658 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2013052273-A2 | USE OF TEMPERATURE AND ETHYLENE PARTIAL PRESSURE TO INTRODUCE LONG CHAIN BRANCHING IN HIGH DENSITY POLYETHYLENE | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2013-04-11 | — | — | WO | disclosed |