⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25895210 | 0.83 | P2RX7 (0.32) | — | |
| SCHEMBL25893566 | 0.78 | TP53 (0.38) | — | |
| SCHEMBL20043948 | 0.78 | TP53 (0.38) | — | |
| SCHEMBL20043915 | 0.74 | THRB (0.41) | — | |
| SCHEMBL20043950 | 0.74 | MEN1 (0.43) | — | |
| SCHEMBL20043917 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL27251508 | 0.73 | CCKAR (0.36) | — | |
| SCHEMBL20044016 | 0.73 | TP53 (0.40) | — | |
| SCHEMBL22304658 | 0.72 | HTR2B (0.36) | — | |
| SCHEMBL22986865 | 0.72 | TP53 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3923724-B1 | HERBICIDAL COMPOSITIONS | SYNGENTA CROP PROTECTION AG (CH) | 2023-07-26 | — | — | EP | disclosed |