⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8047932 | 0.89 | — | — | |
| SCHEMBL8050305 | 0.87 | — | — | |
| SCHEMBL3996121 | 0.82 | — | — | |
| SCHEMBL8037869 | 0.75 | — | — | |
| SCHEMBL6310335 | 0.71 | — | — | |
| SCHEMBL13506157 | 0.67 | — | — | |
| SCHEMBL6302192 | 0.67 | — | — | |
| SCHEMBL14836595 | 0.67 | — | — | |
| SCHEMBL8050001 | 0.64 | — | — | |
| SCHEMBL3382476 | 0.62 | GRIN2D (0.38) | — |
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-6046350-A | Tertiary alkylsilane | NIPPON OIL CO., LTD. (JP) | 2000-04-04 | — | — | US | disclosed |