⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5162572 | 0.79 | RECQL (0.41) | — | |
| SCHEMBL20870875 | 0.73 | RECQL (0.32) | — | |
| SCHEMBL24960586 | 0.73 | KMT2A (0.36) | — | |
| SCHEMBL21500471 | 0.71 | ADORA2B (0.34) | — | |
| SCHEMBL23635700 | 0.68 | GAA (0.32) | — | |
| SCHEMBL23664492 | 0.68 | RECQL (0.36) | — | |
| SCHEMBL24960589 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL20693127 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL25061628 | 0.66 | ADRA2A (0.43) | — | |
| SCHEMBL24960590 | 0.66 | MAPK1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11634390-B2 | Agricultural chemicals | GLOBACHEM NV (BE) | 2023-04-25 | — | — | US | disclosed |
| US-20190322627-A1 | AGRICULTURAL CHEMICALS | GLOBACHEM NV (BE) | 2019-10-24 | — | — | US | disclosed |