⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31438422 | 1.00 | — | — | |
| SCHEMBL31438372 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL21543498 | 0.97 | — | — | |
| SCHEMBL17947527 | 0.94 | — | — | |
| SCHEMBL31438358 | 0.94 | — | — | |
| SCHEMBL31438418 | 0.94 | — | — | |
| SCHEMBL15545610 | 0.88 | PTPN11 (0.32) | — | |
| SCHEMBL8609041 | 0.88 | THRB (0.37) | — | |
| SCHEMBL22111454 | 0.87 | — | — | |
| SCHEMBL20746042 | 0.85 | PTPN11 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023217879-A1 | PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2023-11-16 | — | — | WO | disclosed |
| WO-2023217851-A1 | PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2023-11-16 | — | — | WO | disclosed |
| EP-3976610-A1 | MICROBIOCIDAL DERIVATIVES | Syngenta Crop Protection AG (CH) | 2022-04-06 | — | — | EP | disclosed |