⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL3390155 | 1.00 | — | — | |
| Phosphine SCHEMBL20595760 | 1.00 | — | — | |
| SCHEMBL16741 | 0.93 | — | — | |
| SCHEMBL3667891 | 0.93 | — | — | |
| SCHEMBL4594980 | 0.86 | — | — | |
| Methane SCHEMBL7938760 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL3358284 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3442206 | 0.86 | — | — | |
| SCHEMBL7901642 | 0.86 | — | — | |
| Hydrazine SCHEMBL4918027 | 0.86 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115739184-A | Diisobutylene hydroformylation catalyst composition and application thereof | 成都欣华源科技有限责任公司 | 2023-03-07 | — | — | CN | disclosed |
| CN-115260238-A | Phosphoramidite diphosphine ligand and preparation and application thereof | 西北农林科技大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-115260238-A | Phosphoramidite diphosphine ligand and preparation and application thereof | 西北农林科技大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-112898140-A | Method for preparing aldehyde based on internal olefin catalyzed by phosphoramidite phosphine ligand | 四川大学 | 2021-06-04 | — | — | CN | disclosed |