⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL28023598 | 0.82 | — | — | |
| SCHEMBL718709 | 0.82 | — | — | |
| Methane SCHEMBL29908413 | 0.82 | — | — | |
| Methane SCHEMBL1275939 | 0.82 | — | — | |
| SCHEMBL29349868 | 0.82 | — | — | |
| Methane SCHEMBL194577 | 0.82 | — | — | |
| Methane SCHEMBL25227798 | 0.67 | — | — | |
| Methane SCHEMBL18192042 | 0.67 | — | — | |
| SCHEMBL10979128 | 0.67 | — | — | |
| Methane SCHEMBL11220590 | 0.67 | — | — |
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-6726876-B1 | Stakalloy: a uranium-vanadium-niobium alloy | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY | 2004-04-27 | — | — | US | disclosed |