⚠ 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 SCHEMBL28981573 | 0.87 | — | — | |
| Methane SCHEMBL20608404 | 0.87 | — | — | |
| Methane SCHEMBL28209684 | 0.87 | — | — | |
| Methane SCHEMBL30549043 | 0.82 | — | — | |
| Methane SCHEMBL28519726 | 0.82 | — | — | |
| Methane SCHEMBL397440 | 0.82 | — | — | |
| Methane SCHEMBL402611 | 0.82 | — | — | |
| Methane SCHEMBL1856821 | 0.82 | — | — | |
| SCHEMBL267645 | 0.82 | — | — | |
| SCHEMBL267646 | 0.82 | — | — |
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-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 |