⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22803973 | 0.81 | — | — | |
| SCHEMBL8603802 | 0.67 | — | — | |
| SCHEMBL21582581 | 0.60 | — | — | |
| SCHEMBL22803802 | 0.60 | — | — | |
| SCHEMBL20288249 | 0.58 | MEN1 (0.38) | — | |
| SCHEMBL25914182 | 0.58 | — | — | |
| SCHEMBL13562165 | 0.57 | PTGES (0.43) | — | |
| SCHEMBL24230502 | 0.57 | OTUD7B (0.41) | — | |
| SCHEMBL32690053 | 0.57 | — | — | |
| SCHEMBL22447830 | 0.55 | IDO1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020252240-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY | IFM DUE, INC. (US) | 2020-12-17 | — | — | WO | disclosed |