⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL585140 | 0.92 | — | — | |
| SCHEMBL27789791 | 0.89 | — | — | |
| Methane SCHEMBL7036624 | 0.89 | — | — | |
| SCHEMBL28911446 | 0.89 | — | — | |
| Bicarbonate SCHEMBL28130072 | 0.85 | — | — | |
| SCHEMBL28367243 | 0.77 | — | — | |
| SCHEMBL8562519 | 0.75 | — | — | |
| SCHEMBL28570527 | 0.73 | — | — | |
| SCHEMBL8594599 | 0.73 | — | — | |
| SCHEMBL1878306 | 0.73 | MAOA (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 |
|---|---|---|---|---|---|---|---|
| US-20030065117-A1 | Modified silicone compound, process of producing the same, and cured object obtained therefrom | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2003-04-03 | — | — | US | disclosed |