⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6460142 | 1.00 | — | — | |
| SCHEMBL20929818 | 0.82 | — | — | |
| SCHEMBL20031332 | 0.80 | — | — | |
| SCHEMBL6458403 | 0.79 | TLR4 (0.37) | — | |
| SCHEMBL6458410 | 0.79 | TLR4 (0.37) | — | |
| SCHEMBL6458414 | 0.79 | TLR4 (0.37) | — | |
| SCHEMBL3939267 | 0.78 | — | — | |
| SCHEMBL3325904 | 0.78 | — | — | |
| SCHEMBL21003309 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL12193035 | 0.75 | — | — |
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-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |