⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25153732 | 0.65 | — | — | |
| SCHEMBL48336 | 0.61 | ADORA2A (0.47) | — | |
| SCHEMBL5062453 | 0.61 | FDPS (0.54) | — | |
| SCHEMBL48370 | 0.61 | LTA4H (0.46) | — | |
| SCHEMBL2308094 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL21174543 | 0.60 | FDPS (0.53) | — | |
| SCHEMBL1396049 | 0.59 | — | — | |
| SCHEMBL308213 | 0.59 | — | — | |
| SCHEMBL9248493 | 0.57 | LPO (0.52) | — | |
| SCHEMBL9965999 | 0.56 | — | — |
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-20120022053-A1 | Oxadiazine Derivatives | SYNGENTA CROP PROTECTION, INC. (US) | 2012-01-26 | — | — | US | disclosed |