⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11375964 | 0.97 | MEN1 (0.35) | — | |
| SCHEMBL502333 | 0.83 | — | — | |
| SCHEMBL10612243 | 0.77 | — | — | |
| SCHEMBL28470958 | 0.76 | — | — | |
| SCHEMBL8960724 | 0.76 | — | — | |
| SCHEMBL546952 | 0.76 | — | — | |
| SCHEMBL4389995 | 0.74 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL6931273 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL26622164 | 0.74 | — | — | |
| SCHEMBL27879270 | 0.74 | — | — |
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-102365306-A | Polar group-containing copolymer, rubber composition and studless tire | SUMITOMO RUBBER IND | 2012-02-29 | — | — | CN | disclosed |