⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16297967 | 0.91 | — | — | |
| SCHEMBL7857262 | 0.91 | — | — | |
| SCHEMBL12608040 | 0.91 | — | — | |
| SCHEMBL14597293 | 0.91 | — | — | |
| SCHEMBL16298210 | 0.89 | — | — | |
| SCHEMBL7860508 | 0.89 | — | — | |
| SCHEMBL12606655 | 0.84 | — | — | |
| SCHEMBL12607439 | 0.84 | ADAM17 (0.31) | — | |
| SCHEMBL8291447 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL12607972 | 0.83 | — | — |
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-2006113942-A2 | METHOD OF INHIBITING CATHEPSIN ACTIVITY | SCHERING CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |