⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27304942 | 0.79 | ARG1 (0.31) | — | |
| SCHEMBL25024535 | 0.73 | — | — | |
| SCHEMBL25024536 | 0.71 | ARG1 (0.33) | — | |
| SCHEMBL25024537 | 0.71 | ARG1 (0.33) | — | |
| SCHEMBL27304951 | 0.70 | ARG1 (0.32) | — | |
| SCHEMBL22252305 | 0.69 | PDK2 (0.31) | — | |
| SCHEMBL25024430 | 0.68 | ARG1 (0.35) | — | |
| SCHEMBL25933662 | 0.67 | SIGMAR1 (0.47) | — | |
| SCHEMBL24867914 | 0.66 | — | — | |
| SCHEMBL21859949 | 0.66 | MAP3K12 (0.32) | — |
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-2023018781-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY | IFM DUE, INC. (US) | 2023-02-16 | — | — | WO | disclosed |