⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28334108 | 0.83 | — | — | |
| SCHEMBL6888156 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL8959216 | 0.72 | — | — | |
| SCHEMBL28299152 | 0.72 | TDP1 (0.46) | — | |
| Acetic Acid SCHEMBL2821981 | 0.70 | — | — | |
| SCHEMBL10573309 | 0.69 | SLC1A3 (0.31) | — | |
| SCHEMBL1971029 | 0.69 | CA2 (0.32) | — | |
| SCHEMBL8882964 | 0.66 | ALDH1A1 (0.41) | — | |
| SCHEMBL2367602 | 0.66 | ALDH1A1 (0.41) | — | |
| SCHEMBL7770762 | 0.66 | TDP1 (0.39) | — |
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-106795182-B | Organic titanium compound, method for producing same, and room-temperature-curable resin composition | 信越化学工业株式会社 | 2019-12-10 | — | — | CN | disclosed |