⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10316514 | 0.71 | CYP3A4 (0.37) | — | |
| SCHEMBL14967806 | 0.68 | CYP3A4 (0.34) | — | |
| SCHEMBL2889707 | 0.64 | — | — | |
| SCHEMBL5027981 | 0.62 | — | — | |
| SCHEMBL7990081 | 0.62 | — | — | |
| SCHEMBL7972779 | 0.62 | — | — | |
| SCHEMBL7972784 | 0.62 | — | — | |
| SCHEMBL815359 | 0.62 | — | — | |
| SCHEMBL11136369 | 0.61 | — | — | |
| SCHEMBL27919004 | 0.59 | — | — |
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-20090176958-A1 | SILOXANE MONOMERS AND OLIGOMERS | RENSSELAER POLYTECHNIC INSTITUTE (US) | 2009-07-09 | — | — | US | disclosed |