⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30714913 | 0.85 | — | — | |
| SCHEMBL30714939 | 0.78 | STIM1 (0.36) | — | |
| SCHEMBL27324189 | 0.71 | TDP1 (0.34) | — | |
| SCHEMBL30714936 | 0.70 | BRD4 (0.43) | — | |
| SCHEMBL30714938 | 0.70 | BRD4 (0.43) | — | |
| SCHEMBL31410945 | 0.67 | TSHR (0.48) | — | |
| SCHEMBL26696489 | 0.67 | CYP1A2 (0.30) | — | |
| SCHEMBL27324796 | 0.65 | BRD4 (0.43) | — | |
| SCHEMBL522652 | 0.65 | CBFB (0.36) | — | |
| SCHEMBL2383983 | 0.64 | CRHBP (0.43) | — |
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-2023247293-A1 | ISOXALIDINE DERIVATIVES AS HERICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2023-12-28 | — | — | WO | disclosed |