⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6454890 | 1.00 | — | — | |
| SCHEMBL6458988 | 0.85 | TLR4 (0.37) | — | |
| SCHEMBL6458983 | 0.85 | TLR4 (0.37) | — | |
| SCHEMBL1287882 | 0.82 | — | — | |
| SCHEMBL14158816 | 0.78 | — | — | |
| SCHEMBL8849650 | 0.77 | — | — | |
| SCHEMBL7741336 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL7772125 | 0.77 | — | — | |
| SCHEMBL7772124 | 0.77 | — | — | |
| SCHEMBL7741333 | 0.77 | ALDH1A1 (0.35) | — |
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 3 patents. 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 |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |
| JP-2000355557-A | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK & CHEM INC | 2000-12-26 | — | — | JP | disclosed |