⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5104671 | 0.85 | ALDH1A1 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL27561179 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL27778320 | 0.78 | — | — | |
| SCHEMBL28656730 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL27614737 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL11577832 | 0.72 | — | — | |
| SCHEMBL28338615 | 0.72 | — | — | |
| Phosphonic Acid SCHEMBL28680124 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL26969353 | 0.70 | — | — | |
| SCHEMBL27780795 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1309659-A | Organic phosphorus compounds and their use | JOMAA HASSAN (DE) | 2001-08-22 | — | — | CN | disclosed |