⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5133648 | 0.83 | — | — | |
| SCHEMBL5133647 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL11500440 | 0.72 | — | — | |
| SCHEMBL626807 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL6261494 | 0.67 | — | — | |
| Allyl Alcohol SCHEMBL10859467 | 0.66 | TSHR (0.50) | — | |
| SCHEMBL5377002 | 0.66 | — | — | |
| Ethane SCHEMBL11500293 | 0.65 | — | — | |
| SCHEMBL1489998 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL31675113 | 0.64 | ALDH1A1 (0.31) | — |
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-5053119-A | Beneficiation by froth flotation in presence of amino phosphonic acid or salt | ALBRIGHT & WILSON LIMITED (GB) | 1991-10-01 | — | — | US | disclosed |