⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18570894 | 1.00 | — | — | |
| SCHEMBL17340111 | 1.00 | — | — | |
| SCHEMBL562701 | 0.81 | KDM1A (0.63) | — | |
| SCHEMBL562702 | 0.81 | KDM1A (0.63) | — | |
| SCHEMBL1047030 | 0.81 | — | — | |
| SCHEMBL17734071 | 0.78 | — | — | |
| SCHEMBL12082977 | 0.78 | KDM1A (0.60) | — | |
| SCHEMBL12951512 | 0.78 | KDM1A (0.60) | — | |
| SCHEMBL14350983 | 0.74 | — | — | |
| SCHEMBL8925197 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117304131-A | Alpha-carbonyl alkenyl ester compound, and preparation method and application thereof | 广州医科大学 | 2023-12-29 | — | — | CN | disclosed |
| CN-113292430-B | Alpha-carbonyl alkenyl ester compound and preparation method and application thereof | 江西师范大学 | 2022-11-29 | — | — | CN | disclosed |
| CN-113292430-A | Alpha-carbonyl alkenyl ester compound and preparation method and application thereof | 江西师范大学 | 2021-08-24 | — | — | CN | disclosed |
| CN-107522892-B | Organic amine bicarbonate salt compound and application thereof as foaming agent | 山东理工大学 | 2020-08-18 | — | — | CN | disclosed |
| CN-107312192-B | Organic alcohol amine salt compound and application thereof as foaming agent | 山东理工大学 | 2020-08-18 | — | — | CN | disclosed |
| CN-107253919-B | Hydrazinolamine salt compound and preparation method and application thereof | 山东理工大学 | 2020-03-10 | — | — | CN | disclosed |
| US-5167947-A | Enhancement of absorption of radioprotective drugs | SOUTHWEST RESEARCH INSTITUTE (US) | 1992-12-01 | — | — | US | disclosed |