⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8632258 | 0.85 | — | — | |
| SCHEMBL723744 | 0.76 | — | — | |
| SCHEMBL1072352 | 0.76 | — | — | |
| SCHEMBL5598603 | 0.73 | — | — | |
| SCHEMBL5240387 | 0.69 | — | — | |
| SCHEMBL14208341 | 0.69 | — | — | |
| Benzene SCHEMBL28751495 | 0.69 | HTT (0.40) | — | |
| SCHEMBL12808541 | 0.69 | — | — | |
| SCHEMBL761327 | 0.69 | — | — | |
| SCHEMBL723915 | 0.68 | — | — |
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-20060276536-A1 | Cancer treatment using curcumin derivatives | STC.UNM | 2006-12-07 | — | — | US | disclosed |