⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4756972 | 0.75 | — | — | |
| SCHEMBL4342798 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL6006269 | 0.74 | ALDH1A1 (0.41) | — | |
| Phosphoric Acid SCHEMBL29092860 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL3433861 | 0.70 | — | — | |
| SCHEMBL11500310 | 0.67 | ALDH1A1 (0.40) | — | |
| Phosphoric Acid SCHEMBL5605829 | 0.67 | ALDH1A1 (0.39) | — | |
| Phosphoric Acid SCHEMBL5172105 | 0.67 | ALDH1A1 (0.39) | — | |
| Phosphoric Acid SCHEMBL23358424 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL10786844 | 0.65 | ALDH1A1 (0.38) | — |
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-3760044-A | N-ALKYL-PHOSPHORO-AMIDO-THIOATES | BAYER AG | 1973-09-18 | — | — | US | disclosed |