⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL134973 | 0.97 | — | — | |
| SCHEMBL134974 | 0.97 | — | — | |
| SCHEMBL28711857 | 0.94 | ALDH1A1 (0.35) | — | |
| SCHEMBL28717404 | 0.94 | — | — | |
| Isobutyraldehyde SCHEMBL27940123 | 0.87 | GABRP (0.31) | — | |
| Acetaldehyde SCHEMBL27940990 | 0.87 | TAS1R3 (0.32) | — | |
| SCHEMBL11568243 | 0.77 | — | — | |
| SCHEMBL11568240 | 0.77 | — | — | |
| SCHEMBL13651705 | 0.77 | — | — | |
| SCHEMBL21490456 | 0.75 | ALDH1A1 (0.32) | — |
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-106459113-B | The film deposition method of novel ruthenium compound, preparation method, the film deposition precursor composition comprising it and utilization precursor composition | UP化学株式会社 | 2018-07-13 | — | — | CN | disclosed |
| CN-106459113-A | Novel ruthenium compound, preparation method therefor, precursor composition for film deposition, containing same, and method for depositing film by using same | UP化学株式会社 | 2017-02-22 | — | — | CN | disclosed |