⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5013886 | 0.71 | — | — | |
| SCHEMBL5011009 | 0.70 | — | — | |
| SCHEMBL14092883 | 0.70 | — | — | |
| SCHEMBL5010702 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL4867772 | 0.60 | — | — | |
| SCHEMBL4586844 | 0.60 | — | — | |
| SCHEMBL4572737 | 0.58 | — | — | |
| SCHEMBL4572716 | 0.58 | — | — | |
| SCHEMBL4586058 | 0.58 | IDO1 (0.30) | — | |
| SCHEMBL10706871 | 0.57 | CA2 (0.46) | — |
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-20080207864-A1 | Organosilanes, Process For Production of the Same, and Use Thereof | SHARP KABUSHIKI KAISHA (JP) | 2008-08-28 | — | — | US | disclosed |