⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL260359 | 0.65 | — | — | |
| SCHEMBL2689498 | 0.65 | — | — | |
| SCHEMBL2107618 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL15659901 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL4849711 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL11534968 | 0.60 | — | — | |
| SCHEMBL1936577 | 0.59 | — | — | |
| SCHEMBL992469 | 0.59 | — | — | |
| SCHEMBL260328 | 0.59 | — | — | |
| SCHEMBL1935264 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009065508-A2 | WATER-SOLUBLE RYLENE DYES, METHODS FOR PREPARING THE SAME AND USES THEREOF AS FLUORESCENT LABELS FOR BIOMOLECULES | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2009-05-28 | — | — | WO | disclosed |
| EP-0977766-A1 | GLYCOCONJUGATED FLUORESCENT LABELING REAGENTS | CARNEGIE-MELLON UNIVERSITY (US) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998049176-A1 | GLYCOCONJUGATED FLUORESCENT LABELING REAGENTS | CARNEGIE MELLON UNIVERSITY (US) | 1998-11-05 | — | — | WO | disclosed |