⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4245803 | 1.00 | — | — | |
| SCHEMBL7972730 | 0.76 | HTT (0.37) | — | |
| SCHEMBL7970292 | 0.75 | HDAC8 (0.32) | — | |
| SCHEMBL4392496 | 0.73 | KDM1A (0.41) | — | |
| SCHEMBL4392500 | 0.73 | KDM1A (0.41) | — | |
| Hydrochloric Acid SCHEMBL7906091 | 0.72 | KDM1A (0.40) | — | |
| SCHEMBL7549930 | 0.71 | — | — | |
| SCHEMBL7906073 | 0.71 | HSD11B1 (0.35) | — | |
| SCHEMBL4065727 | 0.70 | — | — | |
| SCHEMBL4063260 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010170-A2 | USE OF BIARYLCARBOXAMIDES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS | Novartis AG (CH) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007120827-A2 | USE OF BIARYLCARBOXAMIDES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS | NOVARTIS AG (CH) | 2007-10-25 | — | — | WO | disclosed |