⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6897890 | 0.84 | CA1 (0.37) | — | |
| SCHEMBL20260277 | 0.80 | — | — | |
| SCHEMBL8023425 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL20058566 | 0.78 | SLC7A5 (0.30) | — | |
| SCHEMBL222173 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL6896757 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL14244877 | 0.75 | SOAT1 (0.32) | — | |
| SCHEMBL4921782 | 0.75 | DGAT1 (0.37) | — | |
| SCHEMBL19018718 | 0.75 | L3MBTL1 (0.40) | — | |
| SCHEMBL6896742 | 0.74 | LMNA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011084846-A1 | QUATERNARY AMMONIUM SALT PRODRUGS | ALKERMES, INC. (US) | 2011-07-14 | — | — | WO | disclosed |