⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29894839 | 0.76 | CA1 (0.50) | — | |
| SCHEMBL5702570 | 0.76 | CA1 (0.50) | — | |
| SCHEMBL30711544 | 0.74 | — | — | |
| SCHEMBL29612256 | 0.74 | CHRNB4 (0.49) | — | |
| SCHEMBL63365 | 0.74 | CHRNB4 (0.49) | — | |
| SCHEMBL13072951 | 0.74 | — | — | |
| SCHEMBL1179274 | 0.74 | — | — | |
| SCHEMBL8371346 | 0.74 | PLAU (0.44) | — | |
| SCHEMBL31439216 | 0.74 | LMNA (0.48) | — | |
| SCHEMBL7053155 | 0.74 | LMNA (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103221408-A | Triazine-oxadiazole compounds | NOVARTIS AG | 2013-07-24 | — | — | CN | disclosed |