⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16894037 | 0.91 | — | — | |
| SCHEMBL108272 | 0.79 | — | — | |
| SCHEMBL23282544 | 0.77 | — | — | |
| SCHEMBL25339374 | 0.76 | — | — | |
| SCHEMBL2888734 | 0.73 | — | — | |
| SCHEMBL109969 | 0.71 | — | — | |
| SCHEMBL7154754 | 0.71 | — | — | |
| SCHEMBL28670970 | 0.67 | — | — | |
| SCHEMBL30620544 | 0.67 | DNM1 (0.37) | — | |
| SCHEMBL6550159 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200164621-A1 | RUBBER COMPOSITION FOR DIRECT VULCANIZATION BONDING AND MOLDED METAL/RUBBER COMPOSITE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2020-05-28 | — | — | US | disclosed |