⚠ 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 SCHEMBL6711105 | 0.87 | — | — | |
| SCHEMBL952924 | 0.87 | — | — | |
| Methane SCHEMBL4457860 | 0.87 | — | — | |
| Methane SCHEMBL6276574 | 0.87 | — | — | |
| Methane SCHEMBL23121383 | 0.75 | — | — | |
| Methane SCHEMBL18762323 | 0.75 | — | — | |
| Methane SCHEMBL19614963 | 0.75 | — | — | |
| SCHEMBL11782141 | 0.75 | — | — | |
| Methane SCHEMBL5708585 | 0.75 | — | — | |
| Methane SCHEMBL28884466 | 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 |
|---|---|---|---|---|---|---|---|
| CN-111410188-A | Device and method for directly electrifying and purifying carbon nano tube | 山东晶石大展纳米科技有限公司 | 2020-07-14 | — | — | CN | disclosed |