⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6019196 | 0.70 | S1PR1 (0.31) | — | |
| SCHEMBL3387366 | 0.69 | — | — | |
| Propanol SCHEMBL27474763 | 0.67 | HCAR3 (0.30) | — | |
| SCHEMBL5279252 | 0.66 | ALDH1A1 (0.31) | — | |
| Propylamine SCHEMBL27966821 | 0.66 | — | — | |
| SCHEMBL27915020 | 0.65 | — | — | |
| SCHEMBL5788970 | 0.65 | — | — | |
| SCHEMBL23888600 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL7814570 | 0.64 | ESR1 (0.33) | — | |
| SCHEMBL27516959 | 0.64 | — | — |
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-5084086-A | Triazinyl or pyrimidinyl sulfonylureas as herbicides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-01-28 | — | — | US | disclosed |