⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3948575 | 0.85 | PPM1D (0.31) | — | |
| SCHEMBL3954243 | 0.83 | — | — | |
| SCHEMBL3949496 | 0.81 | PPM1D (0.31) | — | |
| SCHEMBL3949518 | 0.80 | — | — | |
| SCHEMBL3947143 | 0.80 | — | — | |
| SCHEMBL3954716 | 0.79 | — | — | |
| SCHEMBL3948934 | 0.78 | PPM1D (0.30) | — | |
| SCHEMBL3948771 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL3954707 | 0.76 | TDP1 (0.32) | — | |
| SCHEMBL3949038 | 0.76 | — | — |
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-2009026197-A1 | NOVEL CATHEPSIN C INHIBITORS AND THEIR USE | GLAXO GROUP LIMITED (GB) | 2009-02-26 | — | — | WO | disclosed |