⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18862124 | 0.89 | — | — | |
| SCHEMBL18862134 | 0.79 | GABRA2 (0.32) | — | |
| SCHEMBL18716834 | 0.77 | — | — | |
| SCHEMBL26441051 | 0.76 | — | — | |
| SCHEMBL26441055 | 0.76 | — | — | |
| SCHEMBL19245499 | 0.76 | — | — | |
| SCHEMBL22356547 | 0.75 | — | — | |
| SCHEMBL19262485 | 0.75 | — | — | |
| SCHEMBL26441073 | 0.74 | GHSR (0.33) | — | |
| SCHEMBL22701239 | 0.73 | — | — |
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-9650404-B2 | Curcumin derivatives | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2017-05-16 | — | — | US | disclosed |