⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29633540 | 0.81 | SLC22A8 (0.33) | — | |
| SCHEMBL18261187 | 0.76 | HTT (0.32) | — | |
| Hydrochloric Acid SCHEMBL3274889 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28112707 | 0.70 | — | — | |
| SCHEMBL28025360 | 0.69 | TP53 (0.32) | — | |
| SCHEMBL29633536 | 0.69 | HTT (0.39) | — | |
| SCHEMBL10917281 | 0.69 | HTT (0.39) | — | |
| SCHEMBL3274895 | 0.68 | — | — | |
| SCHEMBL3819867 | 0.66 | HPGD (0.33) | — | |
| SCHEMBL10356376 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109824809-B | Ethylene-alpha-olefin-nonconjugated polyene copolymer and use thereof | 三井化学株式会社 | 2022-06-28 | — | — | CN | disclosed |
| CN-107428956-B | Thermoplastic elastomer composition, use thereof, process for producing the same, ethylene-alpha-olefin-nonconjugated polyene copolymer, and use thereof | 三井化学株式会社 | 2022-05-17 | — | — | CN | disclosed |