⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3978359 | 0.96 | — | — | |
| Tetrahydrofuran SCHEMBL29209354 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL8644951 | 0.73 | — | — | |
| SCHEMBL7904518 | 0.71 | — | — | |
| Methylene Chloride SCHEMBL8718698 | 0.69 | MAPK1 (0.33) | — | |
| SCHEMBL8644959 | 0.69 | — | — | |
| SCHEMBL443341 | 0.69 | — | — | |
| SCHEMBL824024 | 0.69 | — | — | |
| SCHEMBL21342 | 0.67 | — | — | |
| SCHEMBL120507 | 0.67 | — | — |
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-1821251-A | Precursors for silica or metal silicate films | AIR PROD & CHEM (US) | 2006-08-23 | — | — | CN | disclosed |