⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14600839 | 0.79 | PTGS1 (0.42) | — | |
| SCHEMBL25769687 | 0.75 | PTGS1 (0.39) | — | |
| SCHEMBL2689519 | 0.75 | — | — | |
| SCHEMBL15198303 | 0.75 | — | — | |
| SCHEMBL21006006 | 0.75 | — | — | |
| SCHEMBL28283616 | 0.74 | NPC1 (0.41) | — | |
| SCHEMBL10580371 | 0.74 | NPC1 (0.33) | — | |
| SCHEMBL1309983 | 0.71 | CXCR4 (0.44) | — | |
| SCHEMBL2691566 | 0.71 | — | — | |
| SCHEMBL10232349 | 0.70 | — | — |
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-7169785-B2 | Methods and compositions of novel triazine compounds | REDDY US THERAPEUTICS, INC. (US) | 2007-01-30 | — | — | US | disclosed |