⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3874159 | 0.71 | — | — | |
| SCHEMBL37092 | 0.71 | — | — | |
| SCHEMBL1191601 | 0.64 | — | — | |
| SCHEMBL31058586 | 0.62 | FKBP5 (0.33) | — | |
| SCHEMBL9957360 | 0.59 | — | — | |
| SCHEMBL596207 | 0.56 | — | — | |
| SCHEMBL964388 | 0.56 | — | — | |
| SCHEMBL597314 | 0.56 | — | — | |
| SCHEMBL692279 | 0.54 | — | — | |
| SCHEMBL999460 | 0.54 | — | — |
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-20050187138-A1 | Peptide beta-strand mimics based on pyridinones, pyrazinones, pyridazinones, and triazinones | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) | 2005-08-25 | — | — | US | disclosed |