⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27538942 | 0.82 | — | — | |
| SCHEMBL28060271 | 0.78 | — | — | |
| SCHEMBL28800436 | 0.74 | — | — | |
| SCHEMBL28060266 | 0.74 | — | — | |
| SCHEMBL27999901 | 0.69 | MAPKAPK2 (0.31) | — | |
| SCHEMBL28667042 | 0.68 | — | — | |
| SCHEMBL27704515 | 0.68 | — | — | |
| SCHEMBL27770905 | 0.67 | HDAC1 (0.31) | — | |
| SCHEMBL28279258 | 0.67 | TDP1 (0.35) | — | |
| SCHEMBL27790805 | 0.66 | LTA4H (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110036015-A | It can be used as the Imidazopyridazine compounds of the regulator of IL-12, IL-23 and/or IFN α response | 百时美施贵宝公司 | 2019-07-19 | — | — | CN | disclosed |