⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27458474 | 0.93 | — | — | |
| SCHEMBL27485644 | 0.93 | — | — | |
| SCHEMBL27771772 | 0.93 | — | — | |
| SCHEMBL27974034 | 0.93 | — | — | |
| SCHEMBL27763290 | 0.93 | — | — | |
| SCHEMBL27556539 | 0.85 | — | — | |
| SCHEMBL27365398 | 0.85 | — | — | |
| SCHEMBL27656421 | 0.85 | — | — | |
| SCHEMBL27544589 | 0.85 | — | — | |
| O-Xylene SCHEMBL6319561 | 0.78 | — | — |
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-110938309-A | Silicone composition | ＫＣＣ公司 | 2020-03-31 | — | — | CN | disclosed |