⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8677196 | 0.79 | — | — | |
| SCHEMBL8677823 | 0.78 | — | — | |
| SCHEMBL8676025 | 0.75 | — | — | |
| SCHEMBL8675559 | 0.70 | TRPA1 (0.34) | — | |
| SCHEMBL8677706 | 0.70 | TRPA1 (0.34) | — | |
| SCHEMBL8680394 | 0.66 | — | — | |
| SCHEMBL676667 | 0.65 | — | — | |
| SCHEMBL21509412 | 0.62 | — | — | |
| SCHEMBL22726989 | 0.62 | — | — | |
| SCHEMBL19221635 | 0.59 | GABBR2 (0.32) | — |
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-5817882-A | Stereocontrolled synthesis of serricornin | WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1998-10-06 | — | — | US | disclosed |