⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL639389 | 0.82 | — | — | |
| SCHEMBL23254193 | 0.76 | — | — | |
| SCHEMBL14360172 | 0.74 | — | — | |
| SCHEMBL1618026 | 0.73 | — | — | |
| SCHEMBL15972107 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL7539944 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL8419986 | 0.71 | — | — | |
| SCHEMBL307674 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL19664546 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL10742116 | 0.63 | — | — |
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-107849195-B | Preparation method of styrene butadiene rubber and styrene butadiene rubber | 株式会社LG化学 | 2020-10-23 | — | — | CN | disclosed |