⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3252263 | 0.73 | PARP1 (0.33) | — | |
| SCHEMBL5800029 | 0.71 | ATM (0.32) | — | |
| SCHEMBL5799588 | 0.71 | PARP1 (0.33) | — | |
| SCHEMBL14861248 | 0.66 | CA2 (0.35) | — | |
| SCHEMBL5801310 | 0.66 | PARP1 (0.34) | — | |
| SCHEMBL6071807 | 0.61 | — | — | |
| SCHEMBL5799756 | 0.57 | EGFR (0.33) | — | |
| SCHEMBL1398633 | 0.54 | PARP1 (0.57) | — | |
| SCHEMBL5672450 | 0.53 | PARP1 (0.60) | — | |
| SCHEMBL5752486 | 0.53 | POLB (0.31) | — |
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-2001030782-A2 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-05-03 | — | — | WO | disclosed |