⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12527756 | 1.00 | — | — | |
| SCHEMBL23777024 | 0.86 | SIGMAR1 (0.35) | — | |
| SCHEMBL25757237 | 0.86 | SIGMAR1 (0.35) | — | |
| SCHEMBL14471673 | 0.86 | SIGMAR1 (0.35) | — | |
| SCHEMBL7922877 | 0.85 | TDP1 (0.36) | — | |
| SCHEMBL13213181 | 0.85 | TDP1 (0.36) | — | |
| SCHEMBL18543767 | 0.82 | — | — | |
| SCHEMBL18543772 | 0.82 | — | — | |
| SCHEMBL25481623 | 0.82 | — | — | |
| SCHEMBL6019205 | 0.76 | SAT1 (0.39) | — |
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 |