⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6275471 | 0.86 | — | — | |
| SCHEMBL8728537 | 0.78 | HCAR2 (0.37) | — | |
| SCHEMBL676464 | 0.78 | — | — | |
| SCHEMBL21113552 | 0.77 | — | — | |
| SCHEMBL4968901 | 0.76 | — | — | |
| SCHEMBL9844237 | 0.75 | — | — | |
| SCHEMBL891844 | 0.75 | — | — | |
| SCHEMBL5670479 | 0.75 | LMNA (0.38) | — | |
| SCHEMBL332824 | 0.75 | — | — | |
| SCHEMBL891996 | 0.73 | — | — |
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-103917590-B | Rubber combination and studless tire | SUMITOMO RUBBER INDUSTRIES, LTD. (JP) | 2016-06-01 | — | — | CN | disclosed |