⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL808017 | 0.85 | — | — | |
| SCHEMBL808232 | 0.79 | CNR2 (0.32) | — | |
| SCHEMBL808024 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL808046 | 0.76 | GAA (0.31) | — | |
| SCHEMBL808032 | 0.75 | DHFR (0.34) | — | |
| SCHEMBL808039 | 0.74 | CKS1B (0.33) | — | |
| SCHEMBL808332 | 0.73 | GABRA5 (0.34) | — | |
| SCHEMBL808343 | 0.72 | SCD (0.34) | — | |
| SCHEMBL808329 | 0.72 | SCD (0.38) | — | |
| SCHEMBL808240 | 0.71 | HDAC6 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012035023-A1 | TRIAZINE-OXADIAZOLES | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |