⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4143014 | 0.81 | — | — | |
| SCHEMBL9169733 | 0.69 | — | — | |
| SCHEMBL19686876 | 0.51 | S1PR2 (0.41) | — | |
| SCHEMBL9086602 | 0.51 | IDH1 (0.42) | — | |
| SCHEMBL19468970 | 0.49 | CTSD (0.44) | — | |
| SCHEMBL23943143 | 0.48 | NUDT1 (0.35) | — | |
| SCHEMBL16487279 | 0.47 | AR (0.38) | — | |
| SCHEMBL16978959 | 0.47 | IDH1 (0.52) | — | |
| SCHEMBL9278638 | 0.46 | ALDH1A1 (0.54) | — | |
| SCHEMBL23366110 | 0.45 | AR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060074092-A1 | Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases | ALTMANN EVA | 2006-04-06 | — | — | US | disclosed |