⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5052878 | 0.87 | — | — | |
| SCHEMBL28271184 | 0.87 | — | — | |
| SCHEMBL29663 | 0.87 | — | — | |
| SCHEMBL93744 | 0.87 | — | — | |
| SCHEMBL29664 | 0.87 | — | — | |
| SCHEMBL6244671 | 0.87 | — | — | |
| SCHEMBL30883381 | 0.87 | — | — | |
| SCHEMBL11602107 | 0.87 | — | — | |
| SCHEMBL3930260 | 0.87 | — | — | |
| SCHEMBL29662 | 0.87 | — | — |
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-9764997-B1 | High density fuels from renewable alcohols | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2017-09-19 | — | — | US | claimed |