⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10070299 | 0.73 | — | — | |
| SCHEMBL25153732 | 0.67 | — | — | |
| SCHEMBL23228240 | 0.61 | NPC1 (0.39) | — | |
| SCHEMBL25153648 | 0.60 | — | — | |
| SCHEMBL9248493 | 0.59 | LPO (0.52) | — | |
| SCHEMBL23704582 | 0.58 | — | — | |
| SCHEMBL10069761 | 0.58 | — | — | |
| SCHEMBL31595741 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL5657276 | 0.57 | ALDH1A1 (0.30) | — | |
| SCHEMBL21341552 | 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 |