⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8055396 | 0.85 | — | — | |
| SCHEMBL8048088 | 0.71 | — | — | |
| SCHEMBL8049990 | 0.67 | — | — | |
| SCHEMBL8050130 | 0.64 | — | — | |
| SCHEMBL8049446 | 0.62 | — | — | |
| SCHEMBL8050141 | 0.62 | — | — | |
| SCHEMBL1775390 | 0.62 | — | — | |
| SCHEMBL499430 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL8049197 | 0.60 | — | — | |
| SCHEMBL8052543 | 0.60 | — | — |
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 |