⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24269491 | 1.00 | — | — | |
| SCHEMBL635314 | 1.00 | — | — | |
| SCHEMBL16556492 | 1.00 | — | — | |
| SCHEMBL1774475 | 1.00 | — | — | |
| SCHEMBL12603758 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31268247 | 0.95 | — | — | |
| SCHEMBL5998493 | 0.84 | ALDH1A1 (0.53) | — | |
| SCHEMBL863191 | 0.82 | — | — | |
| SCHEMBL10783465 | 0.82 | — | — | |
| SCHEMBL3957860 | 0.82 | — | — |
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-2008119773-A1 | AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES | MEDIVIR AB (SE) | 2008-10-09 | — | — | WO | disclosed |