⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6057255 | 0.96 | — | — | |
| SCHEMBL13269292 | 0.94 | CYP1A2 (0.31) | — | |
| SCHEMBL3692692 | 0.94 | CYP1A2 (0.31) | — | |
| SCHEMBL7145108 | 0.88 | CYP1A2 (0.30) | — | |
| SCHEMBL319972 | 0.83 | CYP1A2 (0.34) | — | |
| SCHEMBL7151358 | 0.82 | — | — | |
| SCHEMBL3700988 | 0.82 | CYP1A2 (0.38) | — | |
| SCHEMBL7865759 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL6910279 | 0.81 | — | — | |
| SCHEMBL27467546 | 0.80 | NAAA (0.35) | — |
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-104903359-B | Method for forming polymerization catalysts with controlled catalyst properties and use thereof in olefin polymerization | 格雷斯公司 | 2018-05-08 | — | — | CN | disclosed |