⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5382316 | 0.83 | — | — | |
| Tromethamine SCHEMBL8019306 | 0.83 | MEN1 (0.39) | — | |
| SCHEMBL27564918 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL1921995 | 0.77 | — | — | |
| SCHEMBL8019310 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL8469284 | 0.77 | — | — | |
| SCHEMBL504341 | 0.74 | — | — | |
| SCHEMBL27383844 | 0.74 | — | — | |
| SCHEMBL1894944 | 0.74 | — | — | |
| Methane SCHEMBL11045573 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106380729-B | Novel PVC heat stabilizer | 邵卫东 | 2019-01-29 | — | — | CN | disclosed |
| CN-106380729-A | Novel PVC heat stablizer | 邵卫东 | 2017-02-08 | — | — | CN | disclosed |