⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11483745 | 0.79 | — | — | |
| SCHEMBL27386882 | 0.70 | POLB (0.32) | — | |
| Acetone SCHEMBL27557244 | 0.68 | — | — | |
| SCHEMBL28651335 | 0.68 | — | — | |
| SCHEMBL8734914 | 0.66 | — | — | |
| SCHEMBL11442814 | 0.66 | PRKCA (0.32) | — | |
| SCHEMBL28133283 | 0.65 | TDP1 (0.34) | — | |
| SCHEMBL13157265 | 0.64 | POLB (0.34) | — | |
| SCHEMBL27677591 | 0.64 | — | — | |
| SCHEMBL9272470 | 0.64 | TP53 (0.33) | — |
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-108341902-B | Catalyst component for ethylene polymerization, preparation method thereof and catalyst for ethylene polymerization | 中国石油化工股份有限公司 | 2021-07-02 | — | — | CN | disclosed |