⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8903887 | 0.91 | FDPS (0.30) | — | |
| SCHEMBL6231242 | 0.90 | — | — | |
| SCHEMBL11793817 | 0.83 | GGPS1 (0.36) | — | |
| SCHEMBL11792335 | 0.82 | THRB (0.31) | — | |
| SCHEMBL6256797 | 0.80 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL6259006 | 0.79 | GGPS1 (0.33) | — | |
| SCHEMBL6258251 | 0.79 | GGPS1 (0.33) | — | |
| SCHEMBL6259145 | 0.79 | GGPS1 (0.33) | — | |
| SCHEMBL6257431 | 0.79 | GGPS1 (0.33) | — | |
| SCHEMBL31203165 | 0.78 | LMNA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7314897-B2 | Aromatic formals as additives for lowering the water uptake of polycarbonates | BAYER MATERIALSCIENCE AG (DE) | 2008-01-01 | — | — | US | disclosed |