⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1831483 | 1.00 | — | — | |
| SCHEMBL15174247 | 0.86 | — | — | |
| SCHEMBL1129934 | 0.75 | — | — | |
| SCHEMBL5652233 | 0.65 | — | — | |
| SCHEMBL24697372 | 0.60 | SLC6A9 (0.30) | — | |
| SCHEMBL27746903 | 0.56 | — | — | |
| SCHEMBL22970038 | 0.55 | SLC6A9 (0.33) | — | |
| SCHEMBL31603710 | 0.54 | SLC6A9 (0.33) | — | |
| SCHEMBL22725306 | 0.54 | ALDH1A1 (0.38) | — | |
| SCHEMBL22969951 | 0.54 | GAA (0.34) | — |
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-2011050158-A1 | ANTI-DRUG VACCINES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-04-28 | — | — | WO | disclosed |