⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7162056 | 0.80 | — | — | |
| SCHEMBL7132937 | 0.77 | — | — | |
| SCHEMBL9918164 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL23740284 | 0.69 | — | — | |
| SCHEMBL7156540 | 0.69 | — | — | |
| SCHEMBL24704174 | 0.69 | — | — | |
| SCHEMBL5278796 | 0.68 | MEN1 (0.31) | — | |
| SCHEMBL11679501 | 0.67 | — | — | |
| SCHEMBL9794584 | 0.67 | — | — | |
| SCHEMBL16659345 | 0.67 | KDM4E (0.33) | — |
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-6593419-B2 | Polycarbonateurethane made from polyisocyanate, spiro ring compound, and polycarbonate polyol; synthetic leather | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-07-15 | — | — | US | disclosed |