⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28829666 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL1881756 | 0.77 | CA1 (0.38) | — | |
| SCHEMBL1159876 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL28829670 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL25625588 | 0.71 | PTGS1 (0.40) | — | |
| SCHEMBL11661833 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL28440086 | 0.69 | ALDH1A1 (0.57) | — | |
| SCHEMBL28829665 | 0.69 | TRPA1 (0.42) | — | |
| SCHEMBL3892476 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL29108639 | 0.68 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114950551-B | Monophosphite polymer catalyst for olefin hydroformylation, preparation method and application thereof | 中国海洋石油集团有限公司 | 2024-05-07 | — | — | CN | disclosed |
| CN-114950551-A | Monophosphite polymer catalyst for olefin hydroformylation and preparation method and application thereof | 中国海洋石油集团有限公司 | 2022-08-30 | — | — | CN | disclosed |