⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11651602 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL433293 | 0.81 | — | — | |
| SCHEMBL433292 | 0.80 | MCL1 (0.48) | — | |
| SCHEMBL27735186 | 0.79 | — | — | |
| SCHEMBL27849982 | 0.78 | MCL1 (0.46) | — | |
| SCHEMBL9243914 | 0.77 | — | — | |
| SCHEMBL13859214 | 0.77 | MCL1 (0.38) | — | |
| Acetic Acid SCHEMBL775075 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL21224223 | 0.76 | MCL1 (0.43) | — | |
| SCHEMBL27844113 | 0.76 | MGAM (0.46) | — |
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-1997027226-A2 | HIGHLY FUNCTIONALIZED POLYETHYLENE GLYCOL GRAFTED POLYSTYRENE SUPPORTS | ARGONAUT TECHNOLOGIES, INC. (US) | 1997-07-31 | — | — | WO | claimed |