⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2141511 | 1.00 | — | — | |
| SCHEMBL28646517 | 0.81 | CES2 (0.30) | — | |
| SCHEMBL29738711 | 0.81 | CES2 (0.30) | — | |
| SCHEMBL1132155 | 0.81 | CES2 (0.30) | — | |
| SCHEMBL6281890 | 0.80 | CES2 (0.38) | — | |
| SCHEMBL6514212 | 0.79 | — | — | |
| SCHEMBL12465646 | 0.79 | — | — | |
| SCHEMBL29126210 | 0.79 | CA1 (0.30) | — | |
| SCHEMBL3185577 | 0.79 | — | — | |
| SCHEMBL4900526 | 0.76 | AKR1B1 (0.34) | — |
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-111971313-B | Ethylene/alpha-olefin copolymer and process for producing the same | LG化学株式会社 | 2023-01-31 | — | — | CN | disclosed |