⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10534185 | 0.97 | — | — | |
| SCHEMBL3030498 | 0.76 | — | — | |
| SCHEMBL12470795 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL3698991 | 0.71 | — | — | |
| SCHEMBL10343035 | 0.69 | — | — | |
| SCHEMBL419403 | 0.67 | — | — | |
| SCHEMBL10893149 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL6168752 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL29027365 | 0.65 | TSHR (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL3473908 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1584622-B1 | Compounds for the photodecontamination of pathogens in blood | CERUS CORP (US) | 2009-11-11 | — | — | EP | disclosed |