⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29249075 | 0.71 | — | — | |
| SCHEMBL3689272 | 0.70 | SHBG (0.38) | — | |
| SCHEMBL3446824 | 0.68 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL302215 | 0.68 | SHBG (0.41) | — | |
| SCHEMBL13269515 | 0.68 | SHBG (0.41) | — | |
| SCHEMBL14562759 | 0.67 | — | — | |
| SCHEMBL23091426 | 0.67 | — | — | |
| SCHEMBL2893447 | 0.66 | — | — | |
| SCHEMBL19512227 | 0.65 | — | — | |
| SCHEMBL17247857 | 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 |
|---|---|---|---|---|---|---|---|
| CN-107189217-A | A kind of PP composite material and preparation method thereof | 通城县绿之源塑胶制品厂 | 2017-09-22 | — | — | CN | disclosed |