⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL930462 | 0.98 | — | — | |
| SCHEMBL8418188 | 0.88 | — | — | |
| SCHEMBL8184593 | 0.85 | — | — | |
| Methane SCHEMBL1532540 | 0.84 | — | — | |
| SCHEMBL161567 | 0.79 | — | — | |
| SCHEMBL9422223 | 0.78 | — | — | |
| SCHEMBL7595871 | 0.77 | — | — | |
| SCHEMBL28301043 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL3627316 | 0.75 | — | — | |
| SCHEMBL637538 | 0.74 | — | — |
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 |