⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL712792 | 0.85 | ESR1 (0.36) | — | |
| SCHEMBL2168264 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL17937732 | 0.76 | CYP2A6 (0.33) | — | |
| SCHEMBL17937805 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL533990 | 0.75 | LTA4H (0.34) | — | |
| SCHEMBL23493494 | 0.72 | MAPT (0.35) | — | |
| SCHEMBL1305649 | 0.69 | RELA (0.36) | — | |
| SCHEMBL1305375 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL707558 | 0.69 | NR1H2 (0.34) | — | |
| SCHEMBL703935 | 0.69 | ESR1 (0.33) | — |
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-113307913-A | Nitrogen/silicon-oxygen-containing functionalized SIBR (silicon-rubber-based elastomer) integrated rubber with star-shaped coupling structure and preparation method thereof | 大连理工大学 | 2021-08-27 | — | — | CN | disclosed |