⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL864005 | 0.82 | — | — | |
| Propane SCHEMBL4641051 | 0.69 | — | — | |
| Alcohol SCHEMBL14125388 | 0.65 | — | — | |
| SCHEMBL2167278 | 0.65 | — | — | |
| SCHEMBL27481422 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL15342 | 0.63 | — | — | |
| Methylene Chloride SCHEMBL1774658 | 0.62 | — | — | |
| SCHEMBL25240753 | 0.62 | — | — | |
| SCHEMBL2270523 | 0.62 | — | — | |
| SCHEMBL301860 | 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 |
|---|---|---|---|---|---|---|---|
| CN-105960438-A | Curable silicon composition, cured product thereof, and optical semiconductor device | 道康宁东丽株式会社 | 2016-09-21 | — | — | CN | disclosed |