⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11025600 | 0.81 | ELANE (0.31) | — | |
| SCHEMBL1320782 | 0.81 | ELANE (0.31) | — | |
| SCHEMBL909744 | 0.80 | — | — | |
| SCHEMBL910013 | 0.79 | NPSR1 (0.30) | — | |
| SCHEMBL4903976 | 0.70 | — | — | |
| SCHEMBL910026 | 0.69 | — | — | |
| SCHEMBL645053 | 0.68 | ELANE (0.30) | — | |
| SCHEMBL22578 | 0.67 | — | — | |
| SCHEMBL10636162 | 0.67 | ELANE (0.40) | — | |
| SCHEMBL3911546 | 0.65 | — | — |
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-0046767-B1 | LOW TEMPERATURE BLEACHING | GLYCO INC. (US) | 1985-08-14 | — | — | EP | disclosed |
| US-4382799-A | BROMINATED HYDANTOINS, ISOCYANURATES | GLYCO CHEMICALS, INC. (US) | 1983-05-10 | — | — | US | disclosed |