⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL713529 | 0.82 | APLNR (0.37) | — | |
| SCHEMBL13381328 | 0.82 | NOS3 (0.33) | — | |
| SCHEMBL4085002 | 0.78 | — | — | |
| SCHEMBL710380 | 0.77 | BRD4 (0.31) | — | |
| SCHEMBL13381235 | 0.77 | POLB (0.32) | — | |
| SCHEMBL2879251 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL5133602 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL13286333 | 0.69 | — | — | |
| SCHEMBL8382509 | 0.68 | GAA (0.34) | — | |
| SCHEMBL1869636 | 0.68 | — | — |
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-20090203636-A1 | Prevention and Treatment of Cancer and Other Diseases | ALT SOLUTIONS, INC. | 2009-08-13 | — | — | US | disclosed |