⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8909383 | 0.90 | STAT3 (0.35) | — | |
| SCHEMBL400605 | 0.87 | STAT3 (0.32) | — | |
| SCHEMBL5034718 | 0.81 | STAT3 (0.38) | — | |
| SCHEMBL30461960 | 0.80 | STAT3 (0.33) | — | |
| SCHEMBL379168 | 0.78 | — | — | |
| SCHEMBL25612 | 0.78 | STAT3 (0.35) | — | |
| SCHEMBL98554 | 0.77 | STAT3 (0.34) | — | |
| SCHEMBL15874559 | 0.77 | STAT3 (0.34) | — | |
| SCHEMBL3023386 | 0.77 | STAT3 (0.34) | — | |
| SCHEMBL6411978 | 0.77 | STAT3 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4882234-A | TUMOR IMAGING AND PHOTODYNAMIC THERAPY AGENTS | HEALUX, INC. (US) | 1989-11-21 | — | — | US | claimed |