⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14224381 | 0.92 | PTPN1 (0.41) | — | |
| SCHEMBL404361 | 0.84 | — | — | |
| SCHEMBL404455 | 0.83 | ERAP2 (0.47) | — | |
| SCHEMBL404970 | 0.82 | GAA (0.40) | — | |
| SCHEMBL2256920 | 0.82 | — | — | |
| SCHEMBL405103 | 0.82 | — | — | |
| SCHEMBL402759 | 0.82 | ERAP2 (0.42) | — | |
| SCHEMBL437857 | 0.81 | TERT (0.46) | — | |
| SCHEMBL404494 | 0.80 | — | — | |
| SCHEMBL405607 | 0.80 | MEN1 (0.44) | — |
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-7358359-B2 | Antibacterial agents | UNIVERSITY OF WASHINGTON (US) | 2008-04-15 | — | — | US | disclosed |