⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3070564 | 0.76 | NOS1 (0.35) | — | |
| SCHEMBL18068276 | 0.70 | — | — | |
| SCHEMBL6558286 | 0.70 | — | — | |
| Butane SCHEMBL2778285 | 0.69 | ALOX15 (0.50) | — | |
| SCHEMBL1896912 | 0.67 | — | — | |
| Propionamide SCHEMBL10623109 | 0.65 | — | — | |
| SCHEMBL228466 | 0.64 | — | — | |
| SCHEMBL3118208 | 0.64 | — | — | |
| SCHEMBL15870351 | 0.64 | — | — | |
| SCHEMBL13662014 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888283-A1 | WIDELY-BRIDGED ALCOHOL POLYETHOXYLATES AND THEIR USE | ALBEMARLE CORPORATION (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1998014422-A1 | WIDELY-BRIDGED ALCOHOL POLYETHOXYLATES AND THEIR USE | ALBEMARLE CORPORATION (US) | 1998-04-09 | — | — | WO | disclosed |