⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28247043 | 0.87 | — | — | |
| Methane SCHEMBL27764393 | 0.87 | — | — | |
| Methane SCHEMBL3795229 | 0.87 | — | — | |
| Methane SCHEMBL8100653 | 0.87 | — | — | |
| SCHEMBL38660874 | 0.75 | — | — | |
| Methane SCHEMBL4822484 | 0.75 | — | — | |
| SCHEMBL28997700 | 0.75 | — | — | |
| Methane SCHEMBL891097 | 0.75 | — | — | |
| SCHEMBL453381 | 0.75 | — | — | |
| SCHEMBL38661519 | 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-105441714-A | High-strength and high-plasticity titanium iron copper carbon alloy | UNIV YANSHAN | 2016-03-30 | — | — | CN | disclosed |
| CN-105441714-A | High-strength and high-plasticity titanium iron copper carbon alloy | UNIV YANSHAN | 2016-03-30 | — | — | CN | disclosed |