⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20996647 | 1.00 | — | — | |
| SCHEMBL20996635 | 0.99 | — | — | |
| SCHEMBL20996648 | 0.86 | P2RX7 (0.35) | — | |
| SCHEMBL30307378 | 0.86 | P2RX7 (0.35) | — | |
| SCHEMBL20996646 | 0.85 | P2RX7 (0.34) | — | |
| SCHEMBL20996641 | 0.84 | — | — | |
| SCHEMBL20996633 | 0.83 | MAOA (0.32) | — | |
| SCHEMBL21028751 | 0.83 | MAOA (0.32) | — | |
| SCHEMBL20996642 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL30307383 | 0.80 | ALDH1A1 (0.38) | — |
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-111406078-B | Catalyst for preparing polyethylene with broad bimodal molecular weight distribution | 埃克森美孚化学专利公司 | 2023-03-10 | — | — | CN | disclosed |