⚠ 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 SCHEMBL194577 | 0.82 | — | — | |
| Methane SCHEMBL3206161 | 0.82 | — | — | |
| SCHEMBL22114 | 0.82 | — | — | |
| Methane SCHEMBL29908413 | 0.82 | — | — | |
| SCHEMBL31628418 | 0.82 | — | — | |
| Methane SCHEMBL1130351 | 0.67 | — | — | |
| Methane SCHEMBL10632544 | 0.67 | — | — | |
| Methane SCHEMBL5573690 | 0.67 | — | — | |
| Charcoal, Activated SCHEMBL11115434 | 0.67 | — | — | |
| Methane SCHEMBL20591028 | 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-4432821-A | Composition and method for brazing graphite to graphite | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1984-02-21 | — | — | US | disclosed |