⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7478249 | 0.77 | — | — | |
| SCHEMBL9738282 | 0.70 | KDM4E (0.36) | — | |
| SCHEMBL7479776 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL7479782 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL7485546 | 0.67 | CYP1A2 (0.35) | — | |
| SCHEMBL7479363 | 0.66 | CYP1A2 (0.33) | — | |
| SCHEMBL7482094 | 0.65 | CYP1A2 (0.34) | — | |
| SCHEMBL7476839 | 0.64 | NPSR1 (0.40) | — | |
| SCHEMBL7480345 | 0.64 | — | — | |
| SCHEMBL7476156 | 0.64 | CYP11B2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1143964-A | Pyrrolopyridazine derivative | SANKYO CO (JP) | 1997-02-26 | — | — | CN | disclosed |