⚠ 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28814214 | 0.82 | TDP1 (0.42) | — | |
| SCHEMBL1646905 | 0.81 | — | — | |
| SCHEMBL28881697 | 0.80 | — | — | |
| SCHEMBL2633391 | 0.76 | — | — | |
| SCHEMBL6022876 | 0.76 | — | — | |
| SCHEMBL25078495 | 0.76 | — | — | |
| SCHEMBL1369329 | 0.76 | — | — | |
| SCHEMBL18291449 | 0.76 | — | — | |
| SCHEMBL542127 | 0.76 | — | — | |
| SCHEMBL23332692 | 0.76 | — | — |
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-108084177-B | A kind of jamaicin 9- pyrazole derivatives and its preparation and application | 中南大学 | 2019-10-08 | — | — | CN | disclosed |
| CN-108084177-A | A kind of jamaicin 9- pyrazole derivatives and its preparation and application | 中南大学 | 2018-05-29 | — | — | CN | disclosed |