⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5419556 | 0.79 | RXRA (0.39) | — | |
| SCHEMBL5409247 | 0.68 | RXRA (0.38) | — | |
| SCHEMBL5425273 | 0.64 | RXRA (0.40) | — | |
| SCHEMBL5419719 | 0.61 | RXRA (0.38) | — | |
| SCHEMBL5413171 | 0.60 | RXRA (0.40) | — | |
| SCHEMBL5418094 | 0.60 | RXRA (0.42) | — | |
| SCHEMBL5407927 | 0.60 | RXRA (0.38) | — | |
| SCHEMBL5417592 | 0.60 | RXRA (0.40) | — | |
| SCHEMBL5413130 | 0.60 | RXRA (0.38) | — | |
| SCHEMBL5412256 | 0.58 | RXRA (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1403255-A1 | Rho KINASE INHIBITORS | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2004-03-31 | — | — | EP | disclosed |