⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28746318 | 0.76 | GCK (0.34) | — | |
| SCHEMBL27550059 | 0.75 | KDM4C (0.41) | — | |
| SCHEMBL28748054 | 0.74 | CYP17A1 (0.38) | — | |
| SCHEMBL6124221 | 0.72 | CPA1 (0.33) | — | |
| SCHEMBL21148770 | 0.71 | CYP2C9 (0.31) | — | |
| SCHEMBL27790380 | 0.65 | CPB2 (0.33) | — | |
| SCHEMBL21430353 | 0.65 | CYP2C9 (0.31) | — | |
| SCHEMBL20012745 | 0.65 | KDM5A (0.31) | — | |
| SCHEMBL15267784 | 0.64 | — | — | |
| SCHEMBL3014472 | 0.61 | KDM5A (0.36) | — |
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-1324018-C | Oligopeptides and compositions containing them as cathepsin S inhibitors | AVENTIS PHARMA INC (US) | 2007-07-04 | — | — | CN | disclosed |