⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6203295 | 1.00 | — | — | |
| SCHEMBL6202386 | 0.81 | — | — | |
| SCHEMBL20143951 | 0.77 | — | — | |
| SCHEMBL10202108 | 0.77 | — | — | |
| SCHEMBL14665080 | 0.77 | — | — | |
| SCHEMBL6632101 | 0.75 | — | — | |
| SCHEMBL17840275 | 0.75 | — | — | |
| SCHEMBL6632920 | 0.75 | — | — | |
| SCHEMBL16923635 | 0.75 | — | — | |
| SCHEMBL16923408 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009030952-A2 | PHENYLCARBOXAMIDE DERIVATIVES AS INHIBITORS AND EFFECTORS OF THE HEDGEHOG PATHWAY | ASTRAZENECA AB (SE) | 2009-03-12 | — | — | WO | disclosed |