⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27766119 | 0.82 | HPGD (0.31) | — | |
| SCHEMBL28318367 | 0.74 | — | — | |
| Formic Acid SCHEMBL31557645 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL27629534 | 0.68 | KEAP1 (0.32) | — | |
| SCHEMBL23229537 | 0.67 | — | — | |
| SCHEMBL28060271 | 0.67 | — | — | |
| SCHEMBL27829689 | 0.67 | — | — | |
| SCHEMBL28260659 | 0.66 | — | — | |
| SCHEMBL27650993 | 0.65 | GABRA5 (0.43) | — | |
| SCHEMBL27999901 | 0.65 | MAPKAPK2 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109923111-A | ANTIBIOTIC COMPOUNDS | 迪斯库瓦有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-102665718-B | Heterocyclic compounds useful as PDK1 inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-03-09 | — | — | CN | disclosed |
| CN-102665718-A | Heterocyclic compounds useful as pdk1 inhibitors | BIOGEN IDEC INC | 2012-09-12 | — | — | CN | disclosed |