⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8856979 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL2464072 | 0.65 | — | — | |
| SCHEMBL28514006 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL20240821 | 0.64 | — | — | |
| SCHEMBL28632367 | 0.64 | — | — | |
| SCHEMBL25380098 | 0.56 | TRIM24 (1.00) | — | |
| Cyclohexanone SCHEMBL21294083 | 0.56 | — | — | |
| SCHEMBL112034 | 0.56 | TRIM24 (1.00) | — | |
| SCHEMBL21403465 | 0.56 | TRIM24 (1.00) | — | |
| SCHEMBL1905857 | 0.56 | TRIM24 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3717524-A1 | METHOD FOR THE PRODUCTION OF FUNCTIONALIZED PARTIALLY HYDROLYZED POLYVINYL ACETATE | Flint Group Germany GmbH (DE) | 2020-10-07 | — | — | EP | disclosed |
| CN-107467178-A | A kind of fresh preserving agent for fruit and vegetable and its application | 山东农业大学 | 2017-12-15 | — | — | CN | disclosed |