⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14347316 | 0.87 | CTSS (0.32) | — | |
| SCHEMBL14374991 | 0.85 | — | — | |
| SCHEMBL14347363 | 0.84 | CTSS (0.30) | — | |
| SCHEMBL24024104 | 0.83 | CTSK (0.38) | — | |
| SCHEMBL12250662 | 0.83 | CTSK (0.38) | — | |
| SCHEMBL24024008 | 0.83 | CTSK (0.38) | — | |
| SCHEMBL14347324 | 0.83 | — | — | |
| SCHEMBL14347384 | 0.82 | CPB2 (0.32) | — | |
| SCHEMBL14347321 | 0.82 | CPB2 (0.32) | — | |
| SCHEMBL14347317 | 0.82 | CTSS (0.30) | — |
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-7312211-B2 | Pryanone compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2007-12-25 | — | — | US | disclosed |