⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18592816 | 0.83 | — | — | |
| SCHEMBL13312190 | 0.81 | APP (0.36) | — | |
| SCHEMBL922878 | 0.77 | — | — | |
| SCHEMBL29007347 | 0.74 | — | — | |
| SCHEMBL3559672 | 0.74 | — | — | |
| SCHEMBL14197908 | 0.74 | — | — | |
| SCHEMBL1396074 | 0.73 | — | — | |
| SCHEMBL27303594 | 0.72 | — | — | |
| SCHEMBL5057920 | 0.72 | FABP1 (0.53) | — | |
| SCHEMBL7171629 | 0.72 | ESR1 (0.46) | — |
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-0792146-A1 | INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES | HEMASURE, INC. (US) | 1997-09-03 | — | — | EP | disclosed |
| WO-1997002028-A1 | INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES | HEMASURE, INC. (US) | 1997-01-23 | — | — | WO | disclosed |