⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL808026 | 0.85 | — | — | |
| SCHEMBL10287192 | 0.77 | PTGIR (0.33) | — | |
| SCHEMBL807788 | 0.73 | EPHX2 (0.35) | — | |
| SCHEMBL15482843 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL796292 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL808244 | 0.68 | HDAC6 (0.34) | — | |
| SCHEMBL808249 | 0.67 | HDAC4 (0.30) | — | |
| SCHEMBL15480826 | 0.65 | L3MBTL1 (0.30) | — | |
| SCHEMBL808041 | 0.64 | TRPV1 (0.39) | — | |
| SCHEMBL17220110 | 0.63 | SIGMAR1 (0.42) | — |
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 |