⚠ 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 SCHEMBL28040571 | 0.87 | — | — | |
| Methane SCHEMBL27812105 | 0.87 | — | — | |
| Methane SCHEMBL28210231 | 0.87 | — | — | |
| Methane SCHEMBL9254289 | 0.87 | — | — | |
| SCHEMBL6421826 | 0.87 | — | — | |
| Methane SCHEMBL27878793 | 0.87 | — | — | |
| Methane SCHEMBL28352072 | 0.87 | — | — | |
| Methane SCHEMBL27529691 | 0.87 | — | — | |
| SCHEMBL6421824 | 0.87 | — | — | |
| Methane SCHEMBL23295086 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107879742-A | A kind of ceramic material titanium tantalum silicon-carbon for solid-oxide fuel cell connector | 青岛大学 | 2018-04-06 | — | — | CN | claimed |
| CN-107879742-A | A kind of ceramic material titanium tantalum silicon-carbon for solid-oxide fuel cell connector | 青岛大学 | 2018-04-06 | — | — | CN | disclosed |