⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15318202 | 0.73 | — | — | |
| SCHEMBL348022 | 0.71 | — | — | |
| SCHEMBL12137300 | 0.70 | ALDH1A1 (0.47) | — | |
| SCHEMBL3111662 | 0.68 | ALDH1A1 (0.44) | — | |
| SCHEMBL23921000 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL4020328 | 0.67 | ADORA2A (0.33) | — | |
| SCHEMBL3106669 | 0.65 | KCNN4 (0.45) | — | |
| Fluoride SCHEMBL28027848 | 0.65 | ALDH1A1 (0.50) | — | |
| SCHEMBL446933 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL30600409 | 0.64 | ALDH1A1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8110709-B2 | Stabilization of hydroformylation catalysts based on phosphoramide ligands | BASF SE (DE) | 2012-02-07 | — | — | US | disclosed |