⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29350069 | 0.95 | — | — | |
| SCHEMBL28219 | 0.95 | — | — | |
| Benzene SCHEMBL10535043 | 0.91 | ALDH1A1 (0.43) | — | |
| SCHEMBL28881389 | 0.91 | — | — | |
| SCHEMBL9576756 | 0.84 | APP (0.39) | — | |
| SCHEMBL3845701 | 0.75 | CA12 (0.38) | — | |
| SCHEMBL22476072 | 0.75 | TAAR1 (0.39) | — | |
| SCHEMBL1226577 | 0.75 | MEN1 (0.39) | — | |
| Acetic Acid SCHEMBL28350220 | 0.73 | CES2 (0.46) | — | |
| Acetic Acid SCHEMBL30434046 | 0.73 | CES2 (0.46) | — |
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-110475783-B | Cationic ruthenium complex, preparation method and application thereof | 高砂香料工业株式会社 | 2022-10-21 | — | — | CN | disclosed |