⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7158264 | 0.78 | — | — | |
| SCHEMBL7201959 | 0.78 | — | — | |
| SCHEMBL7156579 | 0.76 | — | — | |
| SCHEMBL16563095 | 0.72 | — | — | |
| SCHEMBL5278796 | 0.71 | MEN1 (0.31) | — | |
| SCHEMBL18828332 | 0.69 | — | — | |
| SCHEMBL7155736 | 0.68 | — | — | |
| SCHEMBL18680192 | 0.68 | — | — | |
| SCHEMBL18245028 | 0.67 | — | — | |
| SCHEMBL19921587 | 0.67 | — | — |
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-20030092832-A1 | Polyurethane resin and method for producing the same, resin composition and sheet-form article | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-05-15 | — | — | US | disclosed |