⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19090 | 0.94 | — | — | |
| SCHEMBL14577396 | 0.89 | — | — | |
| SCHEMBL14577292 | 0.89 | — | — | |
| SCHEMBL2023782 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL9802912 | 0.89 | — | — | |
| SCHEMBL25266968 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL10525220 | 0.74 | — | — | |
| SCHEMBL6337 | 0.67 | — | — | |
| SCHEMBL10525209 | 0.67 | — | — | |
| SCHEMBL8442506 | 0.67 | — | — |
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-112093786-B | Poly/monophosphite diphosphite hydrogen salt compound and preparation and application thereof | 江苏利思德新材料有限公司 | 2022-02-18 | — | — | CN | claimed |
| CN-113402367-A | Method for adjusting positive-to-negative ratio in continuous hydroformylation reaction | 上海华谊（集团）公司 | 2021-09-17 | — | — | CN | disclosed |