⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17345238 | 0.89 | — | — | |
| SCHEMBL17051363 | 0.83 | — | — | |
| SCHEMBL17345229 | 0.78 | VDR (0.31) | — | |
| SCHEMBL17349973 | 0.73 | VDR (0.34) | — | |
| SCHEMBL17051360 | 0.72 | — | — | |
| SCHEMBL17345227 | 0.70 | — | — | |
| SCHEMBL17345248 | 0.67 | HPGD (0.46) | — | |
| SCHEMBL17055365 | 0.66 | MEN1 (0.42) | — | |
| SCHEMBL17345241 | 0.66 | NPC1 (0.33) | — | |
| SCHEMBL17345239 | 0.65 | MEN1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2960245-A1 | EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, METHOD FOR MANUFACTURING SAME, COMPOSITION AND CURED PRODUCT INCLUDING SAME, AND USE THEREOF | Korea Institute of Industrial Technology (KR) | 2015-12-30 | — | — | EP | disclosed |