⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6459987 | 1.00 | — | — | |
| SCHEMBL6454020 | 0.88 | — | — | |
| SCHEMBL6454023 | 0.88 | — | — | |
| SCHEMBL6458166 | 0.86 | NPY5R (0.30) | — | |
| SCHEMBL6458163 | 0.86 | NPY5R (0.30) | — | |
| SCHEMBL4329874 | 0.85 | — | — | |
| SCHEMBL4329866 | 0.85 | — | — | |
| SCHEMBL4329869 | 0.85 | — | — | |
| SCHEMBL8767199 | 0.85 | — | — | |
| SCHEMBL6456214 | 0.85 | HTR2A (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 2 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 |