⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8220757 | 0.87 | — | — | |
| SCHEMBL1271214 | 0.70 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL8132239 | 0.70 | POLB (0.34) | — | |
| SCHEMBL8132244 | 0.67 | SPR (0.32) | — | |
| SCHEMBL6054828 | 0.66 | SPR (0.40) | — | |
| SCHEMBL13182081 | 0.66 | — | — | |
| SCHEMBL8594051 | 0.66 | — | — | |
| SCHEMBL8889486 | 0.65 | MAPT (0.31) | — | |
| SCHEMBL8452699 | 0.65 | SPR (0.40) | — | |
| SCHEMBL8558295 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120083413-A1 | CYTOCHROME P450 GENES CONFERRING HERBICIDE RESISTANCE | SYNGENTA PARTICIPATIONS AG | 2012-04-05 | — | — | US | disclosed |