⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL635659 | 0.81 | GNAI3 (0.31) | — | |
| SCHEMBL12738373 | 0.75 | — | — | |
| SCHEMBL13555595 | 0.73 | — | — | |
| SCHEMBL6215101 | 0.71 | PSEN1 (0.40) | — | |
| SCHEMBL11278552 | 0.71 | — | — | |
| SCHEMBL880998 | 0.68 | SLC6A2 (0.39) | — | |
| SCHEMBL10674621 | 0.68 | PDK1 (0.34) | — | |
| SCHEMBL13338040 | 0.66 | NOS3 (0.31) | — | |
| SCHEMBL13071166 | 0.66 | NOS3 (0.31) | — | |
| SCHEMBL22997810 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0449041-B1 | Blends of cellulose and synthetic polymers, manufacture and uses thereof | WOLFF WALSRODE AG (DE) | 1996-09-11 | — | — | EP | disclosed |